Artonol B
PubChem CID: 10740797
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| Compound Synonyms | artonol B, 186824-58-8, 10-acetyl-21-hydroxy-6,6,17,17-tetramethyl-7,12,18-trioxapentacyclo[11.8.0.0^{3,11}.0^{5,9}.0^{14,19}]henicosa-1(21),3,5(9),10,13,15,19-heptaene-2,8-dione, 10-acetyl-21-hydroxy-6,6,17,17-tetramethyl-7,12,18-trioxapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1(13),3,5(9),10,14(19),15,20-heptaene-2,8-dione, 10-acetyl-21-hydroxy-6,6,17,17-tetramethyl-7,12,18-trioxapentacyclo(11.8.0.0^(3,11).0^(5,9).0^(14,19))henicosa-1(21),3,5(9),10,13,15,19-heptaene-2,8-dione, 10-acetyl-21-hydroxy-6,6,17,17-tetramethyl-7,12,18-trioxapentacyclo(11.8.0.03,11.05,9.014,19)henicosa-1(13),3,5(9),10,14(19),15,20-heptaene-2,8-dione, 12-Acetyl-6-hydroxy-3,3,9,9-tetramethylfuro(3,4-b)pyrano(3,2-h)xanthene-7,11(3H,9H)-dione, 12-acetyl-6-hydroxy-3,3,9,9-tetramethylfuro[3,4-b]pyrano[3,2-h]xanthene-7,11(3h,9h)-dione, SCHEMBL15144871, CHEBI:172660, DTXSID301318708, acetyl-hydroxy-tetramethyl-[?]dione, 12-Acetyl-6-hydroxy-3,3,9,9-tetramethylfuro[3,4-b]pyrano[3,2- h]xanthene-7,11(3H,9H)-dione, 3H,7H-Furo[3,4-b]pyrano[3,2-h]xanthene-7,11(9H)-dione, 12-acetyl-6-hydroxy-3,3,9,9-tetramethyl- |
|---|---|
| Topological Polar Surface Area | 99.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | LWJBUOOKYYTUDX-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Heavy Atom Count | 31.0 |
| Compound Name | Artonol B |
| Description | Constituent of the bark of Artocarpus communis (breadfruit). Artonol B is found in breadfruit and fruits. |
| Exact Mass | 420.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 420.121 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 858.0 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 420.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10-acetyl-21-hydroxy-6,6,17,17-tetramethyl-7,12,18-trioxapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1(13),3,5(9),10,14(19),15,20-heptaene-2,8-dione |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C24H20O7/c1-10(25)16-17-13(24(4,5)31-22(17)28)8-12-19(27)18-14(26)9-15-11(20(18)29-21(12)16)6-7-23(2,3)30-15/h6-9,26H,1-5H3 |
| Smiles | CC(=O)C1=C2C(=CC3=C1C(=O)OC3(C)C)C(=O)C4=C(O2)C5=C(C=C4O)OC(C=C5)(C)C |
| Xlogp | 3.8 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C24H20O7 |
- 1. Outgoing r'ship
FOUND_INto/from Artocarpus Altilis (Plant) Rel Props:Source_db:fooddb_chem_all