2beta,20alpha-dimethyltetrahymanol (CHEBI:219578)

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CHEBI:219578 - 2beta,20alpha-dimethyltetrahymanol

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ChEBI ID	CHEBI:219578
ChEBI Name	2beta,20alpha-dimethyltetrahymanol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C32H56O
Net Charge	0
Average Mass	456.799
Monoisotopic Mass	456.43312
SMILES	C[C@@H]1CC(C)(C)[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@H](C)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@]2(C)C1
InChI	InChI=1S/C32H56O/c1-20-17-27(3,4)22-13-15-31(9)24(29(22,7)18-20)11-12-25-30(8)19-21(2)26(33)28(5,6)23(30)14-16-32(25,31)10/h20-26,33H,11-19H2,1-10H3/t20-,21+,22+,23+,24-,25-,26+,29+,30+,31-,32-/m1/s1
InChIKey	IRRPBKNYCQPNRU-SDPCAQMASA-N

Species of Metabolite	Component	Source	Comments
Bradyrhizobium diazoefficiens USDA 110 (ncbitaxon:224911)	-	PubMed (11231284)

ChEBI Ontology

Outgoing Relation(s)
	2beta,20alpha-dimethyltetrahymanol (CHEBI:219578) is a triterpenoid (CHEBI:36615)

IUPAC Name
(2S,3S,4aR,6aR,6aR,6bR,8aS,11R,12aS,14aR,14bR)-2,4,4,6a,6b,9,9,11,12a,14b-decamethyl-1,2,3,4a,5,6,6a,7,8,8a,10,11,12,13,14,14a-hexadecahydropicen-3-ol

Manual Xrefs	Databases
78437629	ChemSpider