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[1. Parent hydrocarbon of coprosterol.
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pre_formula( "InChI=1/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21+,22+,23-,24+,25+,26+,27-/m1/s1", "jqp045/5283630.html" ); ?>
Molecular Formula:
C27H48
InChI: InChI=1/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey: InChIKey=XIIAYQZJNBULGD-CJPSHIORBD
SMILES: [H][C@@]12CCCC[C@]1(C)[C@@]3([H])CC[C@]4(C)[C@]([H])(CC[C@@]4([H])[C@]3([H])CC2)[C@H](C)CCCC(C)C
CAS number 481-20-9
Names:
coprostane
pseudocholestane
β-cholestane
(5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
(5β)-cholestane
5beta-cholestane
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Registries:
pre_registry_key( "InChI=1/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21+,22+,23-,24+,25+,26+,27-/m1/s1", "InChIKey=XIIAYQZJNBULGD-CJPSHIORBD", "jqp045/5283630.html" ); ?>
PubChem CID 5283630
Beilstein =2051807
CAS 481-20-9 (from NIST)
ChEBI 35517
PubChem ID 11039044
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