(3beta,11alpha,13beta)-3,11,13-Oleananetriol
PubChem CID: 131751573
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| Compound Synonyms | (3beta,11alpha,13beta)-3,11,13-Oleananetriol, CHEBI:168506, 4,4,6a,6b,8a,11,11,14b-octamethyl-2,3,4a,5,6,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picene-3,6a,14-triol |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | PVMLWBWORNCCPQ-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| Synonyms | 3,11,13-Oleananetriol |
| Heavy Atom Count | 33.0 |
| Compound Name | (3beta,11alpha,13beta)-3,11,13-Oleananetriol |
| Description | Constituent of Pistacia vera (pistachio). (3beta,11alpha,13beta)-3,11,13-Oleananetriol is found in nuts. |
| Exact Mass | 460.392 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 460.392 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 819.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 460.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,4,6a,6b,8a,11,11,14b-octamethyl-2,3,4a,5,6,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picene-3,6a,14-triol |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C30H52O3/c1-24(2)13-14-26(5)15-16-29(8)28(7)12-9-20-25(3,4)22(32)10-11-27(20,6)23(28)19(31)17-30(29,33)21(26)18-24/h19-23,31-33H,9-18H2,1-8H3 |
| Smiles | CC1(CCC2(CCC3(C4(CCC5C(C(CCC5(C4C(CC3(C2C1)O)O)C)O)(C)C)C)C)C)C |
| Xlogp | 7.3 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C30H52O3 |
- 1. Outgoing r'ship
FOUND_INto/from Pistacia Vera (Plant) Rel Props:Source_db:fooddb_chem_all