CHEBI:181764 - 2,3,14-Trihydroxy-10,13-dimethyl-17-(2,3,6-trihydroxy-5,6-dimethylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name 2,3,14-Trihydroxy-10,13-dimethyl-17-(2,3,6-trihydroxy-5,6-dimethylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
ChEBI ID CHEBI:181764
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H46O7
Net Charge 0
Average Mass 494.669
Monoisotopic Mass 494.32435
InChI InChI=1S/C28H46O7/c1-15(24(2,3)33)11-23(32)27(6,34)22-8-10-28(35)17-12-19(29)18-13-20(30)21(31)14-25(18,4)16(17)7-9-26(22,28)5/h12,15-16,18,20-23,30-35H,7-11,13-14H2,1-6H3
InChIKey IJRBORPEVKCEQD-UHFFFAOYSA-N
SMILES OC12C(C(CC1)C(O)(C(O)CC(C(O)(C)C)C)C)(CCC3C4(C(CC(O)C(O)C4)C(=O)C=C23)C)C
ChEBI Ontology
Outgoing 2,3,14-Trihydroxy-10,13-dimethyl-17-(2,3,6-trihydroxy-5,6-dimethylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one (CHEBI:181764) is a steroid (CHEBI:35341)
IUPAC Name
2,3,14-trihydroxy-10,13-dimethyl-17-(2,3,6-trihydroxy-5,6-dimethylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Manual Xref Database
28575309 ChemSpider
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