I-Cholestane

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I-Cholestane
Category Others
Catalog number BBF-05394
CAS 465-56-5
Molecular Weight 370.65
Molecular Formula C27H46

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Specification

Synonyms i-Cholestane; 3,5-Cyclocholestane; (3aR,3bS,5aR,6R,8aS,8bS)-3a,5a-dimethyl-6-((R)-6-methylheptan-2-yl)hexadecahydrocyclopenta[a]cyclopropa[2,3]cyclopenta[1,2-f]naphthalene; (3α,5α)-3,5-Cyclocholestane
IUPAC Name (1S,2R,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]pentacyclo[8.7.0.02,7.05,7.011,15]heptadecane
Canonical SMILES CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC45C3(CCC4C5)C)C
InChI InChI=1S/C27H46/c1-18(2)7-6-8-19(3)22-9-10-23-21-12-16-27-17-20(27)11-15-26(27,5)24(21)13-14-25(22,23)4/h18-24H,6-17H2,1-5H3/t19-,20?,21+,22-,23+,24+,25-,26-,27?/m1/s1
InChI Key MYUSPBGUUVXDMH-FIOAKKNYSA-N

Properties

Boiling Point 441.2±12.0°C at 760 mmHg
Density 1.0±0.1 g/cm3

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