CHEBI:68393 - (22E,24S)-24-methyl-19-norcholesta-1,3,5(10),22-tetraen-3-ol

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ChEBI Name (22E,24S)-24-methyl-19-norcholesta-1,3,5(10),22-tetraen-3-ol
ChEBI ID CHEBI:68393
ChEBI ASCII Name (22E,24S)-24-methyl-19-norcholesta-1,3,5(10),22-tetraen-3-ol
Definition A 3-hydroxy steroid that is (22E,24S)-24-methyl-19-norcholesta-1,3,5(10),22-tetraene substituted by a hydroxy group at position 3. It is isolated from Hainan soft coral Dendronephthya studeri.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information eMolecules:28205206
Download Molfile XML SDF
Formula C27H40O
Net Charge 0
Average Mass 380.60590
Monoisotopic Mass 380.30792
InChI InChI=1S/C27H40O/c1-17(2)18(3)6-7-19(4)25-12-13-26-24-10-8-20-16-21(28)9-11-22(20)23(24)14-15-27(25,26)5/h6-7,9,11,16-19,23-26,28H,8,10,12-15H2,1-5H3/b7-6+/t18-,19-,23-,24-,25-,26+,27-/m1/s1
InChIKey NXXMTWFZPIADGB-RDBPJOJYSA-N
SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCc4cc(O)ccc4[C@@]3([H])CC[C@]12C)[C@H](C)\C=C\[C@@H](C)C(C)C
Metabolite of Species Details
Dendronephthya studeri (WORMS:289144) Diethylether soluble extract of frozen soft coral See: PubMed
Roles Classification
Biological Role(s): coral metabolite
Any animal metabolite produced during a metabolic reaction in corals (marine invertebrates).
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ChEBI Ontology
Outgoing (22E,24S)-24-methyl-19-norcholesta-1,3,5(10),22-tetraen-3-ol (CHEBI:68393) has role coral metabolite (CHEBI:76498)
(22E,24S)-24-methyl-19-norcholesta-1,3,5(10),22-tetraen-3-ol (CHEBI:68393) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name
(17β)-17-[(2R,3E,5S)-5,6-dimethylhept-3-en-2-yl]estra-1,3,5(10)-trien-3-ol
Registry Number Type Source
21306707 Reaxys Registry Number Reaxys
Citation
Yan XH, Liu HL, Huang H, Li XB, Guo YW (2011)
Steroids with aromatic A-rings from the Hainan soft coral Dendronephthya studeri Ridley.
Journal of natural products 74, 175-180 [PubMed:21192715]
[show Abstract]
Last Modified
27 November 2013