CHEBI:144025 - 4,4-dimethyl-14alpha-formyl-5alpha-cholesta-8,24-dien-3beta,15alpha-diol

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4,4-dimethyl-14alpha-formyl-5alpha-cholesta-8,24-dien-3beta,15alpha-diol
ChEBI ID CHEBI:144025
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C30H48O3
Net Charge 0
Average Mass 456.711
Monoisotopic Mass 456.36035
InChI InChI=1S/C30H48O3/c1-19(2)9-8-10-20(3)23-17-26(33)30(18-31)22-11-12-24-27(4,5)25(32)14-15-28(24,6)21(22)13-16-29(23,30)7/h9,18,20,23-26,32-33H,8,10-17H2,1-7H3/t20-,23-,24+,25+,26+,28-,29-,30-/m1/s1
InChIKey SFAFFKXDWJHUSZ-SSORVZQWSA-N
SMILES O[C@@H]1C([C@]2([C@@](C3=C([C@]4([C@@]([C@](C[C@@H]4O)([C@@H](CCC=C(C)C)C)[H])(CC3)C)C=O)CC2)(CC1)C)[H])(C)C
ChEBI Ontology
Outgoing 4,4-dimethyl-14alpha-formyl-5alpha-cholesta-8,24-dien-3beta,15alpha-diol (CHEBI:144025) is a 14α-formyl steroid (CHEBI:176902)
4,4-dimethyl-14alpha-formyl-5alpha-cholesta-8,24-dien-3beta,15alpha-diol (CHEBI:144025) is a 3β-hydroxy steroid (CHEBI:36836)
Last Modified
09 September 2021