euphan-8, 24-diene-3-ol

Compound Structure:

Synonyms:

(3S,5R,10S,13S,14S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol; 13alpha,14beta,17betaH-Lanosta-8,24-dien-3beta-ol

Compound ID:

NMPC-1040

PubChem ID:

122860

Molecular Formula:

C30H50O

Canonical SMILES:

CC(CCC=C(C)C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C

InChIKey:

CAHGCLMLTWQZNJ-ZMBNEQANSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	426.7 g/mol
XLogP3-AA	8.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	426.386166214 g/mol
Monoisotopic Mass	426.386166214 g/mol
Topological Polar Surface Area	20.2Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	767
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

EUPHORBIA DRUPIFERA

Download SDF