18,27-Dinordammara-8,12-dien-3-ol, 20,24-epoxy-24-methyl-, (3beta,20xi)-

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Basic information

CAS: 71659-84-2
Standard SMILES: CCC1(C)CCC(C)(C2CCC3(C)C2=CCC2=C3CCC3C2(C)CCC(O)C3(C)C)O1
InChIKey: XJJGDCQZSMKJTP-UHFFFAOYSA-N
Molecular formula: C29H46O2
Average molar mass: 426.7 g/mol
Monoisotopic mass: 426.34978071

Names & identifiers

Preferred name: 18,27-Dinordammara-8,12-dien-3-ol, 20,24-epoxy-24-methyl-, (3beta,20xi)-
IUPAC: 17-(5-ethyl-2,5-dimethyloxolan-2-yl)-4,4,10,14-tetramethyl-1,2,3,5,6,7,11,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol

Names & synonyms

18,27-Dinordammara-8,12-dien-3-ol, 20,24-epoxy-24-methyl-, (3beta,20xi)-71659-84-2RefChem:79315DTXSID70115960918,27-Dinordammara-8,12-dien-3-ol, 20,24-epoxy-24-methyl-, (3I(2),20I(3/4))-1-(5-Ethyl-2,5-dimethyloxolan-2-yl)-3a,6,6,9a-tetramethyl-2,3,3a,4,5,5a,6,7,8,9,9a,10-dodecahydro-1H-cyclopenta[a]phenanthren-7-ol

Database identifiers

CAS: 71659-84-2
PubChem CID: 156255
DTXSID: DTXSID701159609

Properties

Computed structural properties

XLogP: 6.1
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 31
Formal charge: 0
Complexity: 836

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Compound notes

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