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(25R)-5β-spirostan-1β,3α-diol (CHEBI:35370)

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ChEBI Name (25R)-5β-spirostan-1β,3α-diol
ChEBI ID CHEBI:35370
ChEBI ASCII Name (25R)-5beta-spirostan-1beta,3alpha-diol
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
See structure as:  Image  Applet
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Formula Source
C27H44O4 ChEBI
Net Charge 0
Average Mass 432.63586
InChI
InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey
NCLLSOCDVMFDSK-FQXYYZOXSA-N
SMILES
[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])C[C@]3([H])O[C@]5(CC[C@@H](C)CO5)[C@@H](C)[C@]43[H])[C@@]1(C)[C@H](O)C[C@@H](O)C2
ChEBI Ontology
Outgoing (25R)-5β-spirostan-1β,3α-diol (CHEBI:35370) is a sapogenin (CHEBI:26606)
IUPAC Name
(25R)-5β-spirostan-1β,3α-diol
Synonym Source
(25R)-5β-spirostane-1β,3α-diol ChEBI
General Comment
2006-03-20 As reported in New J. Chem., 2006, 30, 197-207. The possibility of the reported compound being the enantiomer, (25S)-5α-spirostan-1α,3β-diol, cannot be discounted.
 
Last Modified
11 December 2006

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