CHEBI:181524 - 4,4,8,10,14-Pentamethyl-17-(4,5,6-trihydroxy-6-methylheptan-2-yl)-2,5,6,7,9,15-hexahydro-1H-cyclopenta[a]phenanthrene-3,16-dione

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ChEBI Name 4,4,8,10,14-Pentamethyl-17-(4,5,6-trihydroxy-6-methylheptan-2-yl)-2,5,6,7,9,15-hexahydro-1H-cyclopenta[a]phenanthrene-3,16-dione
ChEBI ID CHEBI:181524
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H46O5
Net Charge 0
Average Mass 486.693
Monoisotopic Mass 486.33452
InChI InChI=1S/C30H46O5/c1-17(15-19(31)25(34)27(4,5)35)24-18-9-10-22-28(6)13-12-23(33)26(2,3)21(28)11-14-29(22,7)30(18,8)16-20(24)32/h9-10,17,19,21-22,25,31,34-35H,11-16H2,1-8H3
InChIKey PGQUPZCFLHXEHV-UHFFFAOYSA-N
SMILES O=C1C(C2C(C3C(C4(C(C=C3)=C(C(=O)C4)C(CC(O)C(O)C(O)(C)C)C)C)(CC2)C)(CC1)C)(C)C
ChEBI Ontology
Outgoing 4,4,8,10,14-Pentamethyl-17-(4,5,6-trihydroxy-6-methylheptan-2-yl)-2,5,6,7,9,15-hexahydro-1H-cyclopenta[a]phenanthrene-3,16-dione (CHEBI:181524) is a triterpenoid (CHEBI:36615)
IUPAC Name
4,4,8,10,14-pentamethyl-17-(4,5,6-trihydroxy-6-methylheptan-2-yl)-2,5,6,7,9,15-hexahydro-1H-cyclopenta[a]phenanthrene-3,16-dione
Manual Xref Database
29814986 ChemSpider
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