Inoterpene D (CHEBI:204863)

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CHEBI:204863 - Inoterpene D

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ChEBI ID	CHEBI:204863
ChEBI Name	Inoterpene D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H50O3
Net Charge	0
Average Mass	458.727
Monoisotopic Mass	458.37600
SMILES	CC(C)=CC[C@@H](O)[C@@H](CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
InChI	InChI=1S/C30H50O3/c1-19(2)8-10-24(32)20(18-31)21-12-16-30(7)23-9-11-25-27(3,4)26(33)14-15-28(25,5)22(23)13-17-29(21,30)6/h8,20-21,24-26,31-33H,9-18H2,1-7H3/t20-,21+,24+,25-,26-,28+,29+,30-/m0/s1
InChIKey	ZOGUEUUJSNQQJH-KFPHZHIMSA-N

Species of Metabolite	Component	Source	Comments
Inonotus obliquus (ncbitaxon:167356)	-	DOI (10.1016/j.tet.2009.01.076)

ChEBI Ontology

Outgoing Relation(s)
	Inoterpene D (CHEBI:204863) is a triterpenoid (CHEBI:36615)

IUPAC Name
(2R,3R)-2-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-ene-1,3-diol

Manual Xrefs	Databases
78437207	ChemSpider