Astrapteridiol (CHEBI:201969)

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CHEBI:201969 - Astrapteridiol

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ChEBI ID	CHEBI:201969
ChEBI Name	Astrapteridiol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H50O3
Net Charge	0
Average Mass	458.727
Monoisotopic Mass	458.37600
SMILES	C[C@H]([C@@H]1CC[C@H](C)[C@@H](O)O1)[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/c1-18-8-10-23(33-26(18)32)19(2)20-12-16-30(7)22-9-11-24-27(3,4)25(31)14-15-28(24,5)21(22)13-17-29(20,30)6/h18-20,23-26,31-32H,8-17H2,1-7H3/t18-,19-,20+,23-,24-,25-,26-,28+,29+,30-/m0/s1
InChIKey	DRTROQLYCJSMQX-ZORWLORFSA-N

Species of Metabolite	Component	Source	Comments
Astraeus pteridis (ncbitaxon:265492)	-	PubMed (19067555)

ChEBI Ontology

Outgoing Relation(s)
	Astrapteridiol (CHEBI:201969) is a triterpenoid (CHEBI:36615)

IUPAC Name
(2S,3S,6S)-6-[(1S)-1-[(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]ethyl]-3-methyloxan-2-ol

Manual Xrefs	Databases
23333383	ChemSpider