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Substance Name: Benzeneacetic acid, 4-hydroxy-3-methoxy-, (3,3a,4,6a,7,8,9,10,10a,10b-decahydro-3a,8,10a-trihydroxy-2,10-dimethyl-8-(1-methylethenyl)-3-oxo-7-((phenylacetyl)oxy)benz(e)azulene-5-yl)methyl ester, (3aR-(3aalpha,6aalpha,7beta,8beta,10beta,10abeta,10bbeta))-
RN: 83920-74-5
InChIKey: GYFIHQHKEVVFMY-XAEYSEGOSA-N

Molecular Weight

  • 646.729
 
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Names and Synonyms

  • Benzeneacetic acid, 4-hydroxy-3-methoxy-, (3,3a,4,6a,7,8,9,10,10a,10b-decahydro-3a,8,10a-trihydroxy-2,10-dimethyl-8-(1-methylethenyl)-3-oxo-7-((phenylacetyl)oxy)benz(e)azulene-5-yl)methyl ester, (3aR-(3aalpha,6aalpha,7beta,8beta,10beta,10abeta,10bbeta))-

Registry Numbers

CAS Registry Number

  • 83920-74-5

System Generated Number

  • 0083920745

Structure Descriptors

InChI

1S/C37H42O10/c1-21(2)35(42)18-23(4)37(44)27(34(35)47-32(40)16-24-9-7-6-8-10-24)14-26(19-36(43)30(37)13-22(3)33(36)41)20-46-31(39)17-25-11-12-28(38)29(15-25)45-5/h6-15,23,27,30,34,38,42-44H,1,16-20H2,2-5H3/t23-,27+,30-,34-,35-,36-,37-/m1/s1

InChIKey

GYFIHQHKEVVFMY-XAEYSEGOSA-N

Smiles

c1(ccc(O)c(c1)OC)CC(=O)OCC1=C[C@@H]2[C@@]([C@@H]3C=C(C([C@@]3(C1)O)=O)C)([C@@H](C[C@@]([C@@H]2OC(Cc1ccccc1)=O)(O)C(=C)C)C)O