Astrakurkurol (CHEBI:220344)

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CHEBI:220344 - Astrakurkurol

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ChEBI ID	CHEBI:220344
ChEBI Name	Astrakurkurol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C33H56O3
Net Charge	0
Average Mass	500.808
Monoisotopic Mass	500.42295
SMILES	CCO[C@@H]1O[C@@](C)([C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC4)CC[C@@H]1C
InChI	InChI=1S/C33H56O3/c1-10-35-28-21(2)13-20-33(9,36-28)22(3)23-14-18-32(8)25-11-12-26-29(4,5)27(34)16-17-30(26,6)24(25)15-19-31(23,32)7/h21-23,26-28,34H,10-20H2,1-9H3/t21-,22-,23+,26-,27-,28+,30+,31+,32-,33+/m0/s1
InChIKey	NMVFHEIVSJMPPY-QYELQWIWSA-N

Species of Metabolite	Component	Source	Comments
Astraeus hygrometricus (ncbitaxon:150782)	-	PubMed (22899612)

ChEBI Ontology

Outgoing Relation(s)
	Astrakurkurol (CHEBI:220344) is a triterpenoid (CHEBI:36615)

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

Manual Xrefs	Databases
78437657	ChemSpider