Retinol Acetate
PubChem CID: 638034
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| Compound Synonyms | RETINYL ACETATE, Vitamin A acetate, Retinol acetate, 127-47-9, Retinol, acetate, all-trans-Retinyl acetate, all-trans-Retinol acetate, Crystalets, Vitamin A1 acetate, Vitamin A alcohol acetate, Davitan A 650, all-trans-Vitamin A acetate, Vitamin A ester, Retinol, acetate, all-trans-, Myvak (VAN), Myvax (VAN), all-trans-Retinylacetate, Vitamin A acetate (VAN), Acetic acid, retinyl ester, Retinyl acetate, all-trans-, trans-Retinyl acetate, O~15~-acetylretinol, CCRIS 1907, [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] acetate, Retinol acetate [JAN], trans-Vitamin A acetate, NSC 122045, RO 1-5275, (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl acetate, EINECS 204-844-2, 3LE3D9D6OY, Vitamin A, acetate, BRN 1915439, DTXSID6021240, CHEBI:32095, O(15)-acetylretinol, ORISTAR RA, MFCD00019413, Retinol acetate (JP17), NSC-122045, NSC-122760, DTXCID701240, VITAMIN A ACETATE [MI], RETINOL ACETATE [WHO-DD], RETINYL ACETATE [USP-RS], EC 204-844-2, VITAMIN A ACETATE [VANDF], NSC122045, NSC122760, NCGC00090756-09, VITAMIN A (AS ACETATE) [VANDF], Retinol Acetate/All-trans-retinyl Acetate, VITAMIN A ACETATE 1.5 M.I.U./G, ALL-(E)-RETINOL ACETATE [WHO-IP], RO-1-5275, VitaminAacetate, 64536-04-5, Vitamin A acetate (tritiated), VITAMIN A (AS ACETATE & BETA CAROTENE) [VANDF], RETINYL ACETATE (USP-RS), Retinol, acetate, labeled with tritium, 9-cis Retinol Acetate, CAS-127-47-9, Acetateall-trans-Retinol, O~15~-Acetyl-retinol, Retinol acetate (JP15), trans-Retinol Acetate, SR-05000001431, UNII-3LE3D9D6OY, RETINOL ACETATE (SEE RETINOIDPROJECTS 1 AND 3), Retinol acetate, Vitamin A acetate, retinyl-acetate, WLN: L6UTJ A1 B1U1Y1 & U2U1Y1 & U2OV1 C1 C1, 9-cis,13-cis-Retinol15-Acetate, ((2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl) acetate, Retinol acetic acid, 9-cis-Retinol acetate, 9-cis-Vitamin A acetate, Spectrum5_001195, Spectrum5_002001, retinol, O~15~-acetyl-, Retinyl acetate (Standard), BSPBio_002833, SPECTRUM1503051, RETINYL ACETATE [INCI], C22H32O2 (retinol acetate), CHEMBL486193, VITAMIN A (AS ACETATE), ALL-(E)-RETINOL ACETATE, CHEBI:94695, HMS501K04, HY-N0679R, HMS1922A19, HMS2089G20, Pharmakon1600-01503051, (2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl acetate, HY-N0679, Retinyl acetate, analytical standard, Tox21_113549, Tox21_201423, Tox21_302737, BDBM50442911, CCG-39564, LMPR01090012, NSC758220, Retinol, acetate, all-trans-(8CI), s4083, AKOS015914999, Tox21_113549_1, CS-8187, FV28713, NSC-758220, 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl acetate, IDI1_000522, NCGC00090756-01, NCGC00090756-02, NCGC00090756-03, NCGC00090756-05, NCGC00090756-06, NCGC00090756-07, NCGC00090756-08, NCGC00090756-10, NCGC00090756-11, NCGC00090756-12, NCGC00256509-01, NCGC00258974-01, AC-19999, DA-77416, FV146341, Vitamin A acetate, min 500,000 IU/g, SBI-0051756.P002, RETINOL ACETATE (2800000 IU/G), Vitamin A acetate - min 2800000 IU/g, NS00003926, D01621, H12041, VITAMIN A (AS ACETATE & BETA CAROTENE), Vitamin A acetate 10 microg/mL in Acetonitrile, AB00052305-02, AB00052305_03, EN300-18533003, EN300-25359996, Vitamin A acetate in gelatin, 500,000 I.U./g, Q7316808, SR-05000001431-1, SR-05000001431-3, BRD-K65331431-001-01-3, BRD-K65331431-001-06-2, BRD-K65331431-001-08-8, Retinol acetate, European Pharmacopoeia (EP) Reference Standard, Retinyl acetate, synthetic, crystalline solid or supercooled liquid, Retinyl acetate, United States Pharmacopeia (USP) Reference Standard, Retinyl acetate, solid or viscous liquid, BioReagent, synthetic, suitable for cell culture, Retinyl acetate, synthetic, matrix dispersion, 475,000-650,000 USP units/g, (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-tetraenyl acetate, (all-E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-4,6,8-nonatetraen-1-ol acetate, Retinyl acetate, Vitamin A1 acetate, 204-844-2, 3,7-Dimethyl-9-(2,6,6,-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol acetate, (all trans)-, InChI=1/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9+,18-14, Retinyl Acetate (Vitamin A Acetate), Pharmaceutical Secondary Standard, Certified Reference Material |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 595.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q99714, Q9NUW8, P25779, P10636, P00352, P02791, P15428, P08684, Q96KQ7, P11473, P19793, P03372, P49798, Q96RI1, Q16236, Q9R1A7, Q9NPD5, Q9Y6L6, n.a., P0DTD1, P10275, P04792, Q03181 |
| Iupac Name | [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] acetate |
| Prediction Hob | 1.0 |
| Target Id | NPT149, NPT50, NPT51, NPT94, NPT151, NPT109, NPT72, NPT73 |
| Xlogp | 6.3 |
| Molecular Formula | C22H32O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QGNJRVVDBSJHIZ-QHLGVNSISA-N |
| Fcsp3 | 0.5 |
| Logs | -5.029 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.975 |
| Compound Name | Retinol Acetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 328.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 328.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 328.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 4.0 |
| Esol | -5.3521752000000005 |
| Inchi | InChI=1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9+,18-14+ |
| Smiles | CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/COC(=O)C)/C)/C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 4.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all