(2R,3R,5R,10S,12S,13R,14R,17R)-2,3,12-trihydroxy-4,4,10,13,14-pentamethyl-17-[(2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one (CHEBI:205108)

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CHEBI:205108 - (2R,3R,5R,10S,12S,13R,14R,17R)-2,3,12-trihydroxy-4,4,10,13,14-pentamethyl-17-[(2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one

Default Structure

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ChEBI ID	CHEBI:205108
ChEBI Name	(2R,3R,5R,10S,12S,13R,14R,17R)-2,3,12-trihydroxy-4,4,10,13,14-pentamethyl-17-[(2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H50O7
Net Charge	0
Average Mass	522.723
Monoisotopic Mass	522.35565
SMILES	CC(C)(O)[C@H](O)CC[C@@H](CO)[C@H]1CC[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]1CC3=O
InChI	InChI=1S/C30H50O7/c1-26(2)21-13-19(32)24-18(28(21,5)14-20(33)25(26)36)12-23(35)30(7)17(10-11-29(24,30)6)16(15-31)8-9-22(34)27(3,4)37/h16-17,20-23,25,31,33-37H,8-15H2,1-7H3/t16-,17+,20+,21-,22+,23-,25-,28+,29-,30-/m0/s1
InChIKey	FVNOMENBXLRMPE-YZPVWUHISA-N

Species of Metabolite	Component	Source	Comments
Hypholoma fasciculare (ncbitaxon:72129)	-	PubMed (23634786)

ChEBI Ontology

Outgoing Relation(s)
	(2R,3R,5R,10S,12S,13R,14R,17R)-2,3,12-trihydroxy-4,4,10,13,14-pentamethyl-17-[(2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one (CHEBI:205108) is a triterpenoid (CHEBI:36615)

IUPAC Name
(2R,3R,5R,10S,12S,13R,14R,17R)-2,3,12-trihydroxy-4,4,10,13,14-pentamethyl-17-[(2R,5R)-1,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one

Manual Xrefs	Databases
30810922	ChemSpider