CHEBI:211796 - Hymenosulfate

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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 Hymenosulfate
ChEBI ID CHEBI:211796
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C29H48O4S
Net Charge 0
Average Mass 492.760
Monoisotopic Mass 492.32733
InChI InChI=1S/C29H48O4S/c1-18(2)21(5)19(3)16-20(4)25-10-11-26-24-9-8-22-17-23(33-34(30,31)32)12-14-28(22,6)27(24)13-15-29(25,26)7/h8,16,18,20-21,23-27H,9-15,17H2,1-7H3,(H,30,31,32)/b19-16+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey JFPMYQBPAWZEIT-UCUGPCMVSA-N
SMILES S(=O)(=O)(O[C@@H]1CC2=CC[C@H]3[C@H]4[C@]([C@@H]([C@@H](/C=C(/[C@@H](C(C)C)C)\C)C)CC4)(C)CC[C@@H]3[C@@]2(C)CC1)O
ChEBI Ontology
Outgoing Hymenosulfate (CHEBI:211796) has parent hydride gorgostane (CHEBI:24424)
Hymenosulfate (CHEBI:211796) is a steroid (CHEBI:35341)
IUPAC Name
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,2R,5R)-4,5,6-trimethylhept-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulate
Manual Xref Database
78443598 ChemSpider
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