CHEBI:182832 - 2,3,14-Trihydroxy-10,13-dimethyl-17-(2,3,6,7-tetrahydroxy-6-methylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

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ChEBI Name 2,3,14-Trihydroxy-10,13-dimethyl-17-(2,3,6,7-tetrahydroxy-6-methylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
ChEBI ID CHEBI:182832
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H44O8
Net Charge 0
Average Mass 496.641
Monoisotopic Mass 496.30362
InChI InChI=1S/C27H44O8/c1-23(33,14-28)8-7-22(32)26(4,34)21-6-10-27(35)16-11-18(29)17-12-19(30)20(31)13-24(17,2)15(16)5-9-25(21,27)3/h11,15,17,19-22,28,30-35H,5-10,12-14H2,1-4H3
InChIKey RRCGNPRHZQPOOT-UHFFFAOYSA-N
SMILES OC12C(C(CC1)C(O)(C(O)CCC(O)(CO)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-(2,3,6,7-tetrahydroxy-6-methylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one (CHEBI:182832) is a steroid (CHEBI:35341)
IUPAC Name
2,3,14-trihydroxy-10,13-dimethyl-17-(2,3,6,7-tetrahydroxy-6-methylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Manual Xref Database
26503519 ChemSpider
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