Urs-12-en-28-ol

Compound Structure:

Synonyms:

Urs-12-en-28-ol; 10153-88-5 ;[(1S,2R,4aS,6aR,6aS,6bR,8aS,12aS,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picen-4a-yl]methanol ;SCHEMBL6692152; DTXSID001016044

Compound ID:

NMPC-1586

PubChem ID:

22213452

Molecular Formula:

C30H50O

Canonical SMILES:

CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCCC5(C)C)C)C)C2C1C)C)CO

InChIKey:

VWUGAIMYTMQVFJ-PQSOHBQGSA-N

About the compound:

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	1
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	764
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source:PubChem

Source Species:

Rauvolfia vomitoria

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