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dihydrostemphyloxin I

Go to external page http://purl.obolibrary.org/obo/CHEBI_145071

An octahydronaphthalene that is stemphyloxin I in which the C=C bond of the enol moiety has been reduced to a C-C bond.

Term info

Label

dihydrostemphyloxin I

Synonyms
  • (2S,3R,4R,4aS,5R,7R,8aS)-2,7-dihydroxy-3-[(2R)-1-hydroxybutan-2-yl]-4-(3-hydroxypropanoyl)-2,4,5,7-tetramethyloctahydronaphthalen-1(2H)-one
database cross reference
Subsets

3_STAR

IUPAC NAME
(2S,3R,4R,4aS,5R,7R,8aS)-2,7-dihydroxy-3-[(2R)-1-hydroxybutan-2-yl]-4-(3-hydroxypropanoyl)-2,4,5,7-tetramethyloctahydronaphthalen-1(2H)-one [ IUPAC ]

charge

0

formula

C21H36O6

has obo namespace

chebi_ontology

id

CHEBI:145071

inchi

InChI=1S/C21H36O6/c1-6-13(11-23)17-20(4,15(24)7-8-22)16-12(2)9-19(3,26)10-14(16)18(25)21(17,5)27/h12-14,16-17,22-23,26-27H,6-11H2,1-5H3/t12-,13+,14+,16+,17-,19-,20-,21+/m1/s1

inchikey

UUOFDWJUPVQCFZ-BSXWIJKXSA-N

mass

384.513

monoisotopicmass

384.25119

smiles

[C@]1([C@H]([C@](C([C@@]2([C@@]1([C@@H](C[C@](C2)(O)C)C)[H])[H])=O)(C)O)[C@@H](CC)CO)(C(=O)CCO)C