TPCN02207
Name | (4bS,8aS,10R)-2-[2-(Acetyloxy)-1-methylethyl]-4b,5,6,7,8,8a,9,10-octahydro-3,10-dihydroxy-4b,8,8-trimethyl-1,4-phenanthrenedione |
Molecular Formula | C22H30O6 |
Molecular Weight | 390.48 |
CAS Registry Number | 161840-08-0 |
SMILES | CC(=O)OCC(C)C1=C(O)C(=O)C2=C(C1=O)C(O)CC1C(C)(C)CCCC21C |
Classify | Diterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Lamiaceae | Coleus hereroensis | Aerial parts | 0.007299% | Phytochemistry 41, 571-573 (1996). | 10.1016/0031-9422(95)00646-x |
Properties
HBA | 6 | HBD | 2 |
HeavyAtoms | 28 | AlogP | 3.04 |
TPSA | 100.90 | RotatableBonds | 3 |
FractionCSP3 | 0.68 | Rings | 3 |
AromaticRings | 0 | AliphaticRings | 3 |