3beta,12-Dihydroxy-13-methyl-6,8,11,13-podocarpatetraene
PubChem CID: 11644754
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| Compound Synonyms | 3beta,12-Dihydroxy-13-methyl-6,8,11,13-podocarpatetraene, CHEBI:65782, Q27134270, (3beta)-13-methylpodocarpa-6,8,11,13-tetraene-3,12-diol, (2S,4aS,10aR)-1,1,4a,7-tetramethyl-2,3,4,10a-tetrahydrophenanthrene-2,6-diol |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 414.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2S,4aS,10aR)-1,1,4a,7-tetramethyl-2,3,4,10a-tetrahydrophenanthrene-2,6-diol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Is Pains | False |
| Molecular Formula | C18H24O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SJWBGJZSWLEJSB-XYJFISCASA-N |
| Fcsp3 | 0.5555555555555556 |
| Rotatable Bond Count | 0.0 |
| Compound Name | 3beta,12-Dihydroxy-13-methyl-6,8,11,13-podocarpatetraene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.178 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 272.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 272.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.3968055999999995 |
| Inchi | InChI=1S/C18H24O2/c1-11-9-12-5-6-15-17(2,3)16(20)7-8-18(15,4)13(12)10-14(11)19/h5-6,9-10,15-16,19-20H,7-8H2,1-4H3/t15-,16-,18+/m0/s1 |
| Smiles | CC1=CC2=C(C=C1O)[C@]3(CC[C@@H](C([C@@H]3C=C2)(C)C)O)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Securinega Suffruticosa (Plant) Rel Props:Source_db:cmaup_ingredients