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Substance Name: 2-Butenoic acid, 2-methyl-, decahydro-1,6-dihydroxy-3a,6-dimethyl-1-(1-methylethyl)-8-(2-methyl-1-oxopropoxy)-5-oxo-4-azulenyl ester, (1S-(1alpha,3aalpha,4beta(Z),6beta,8beta,8abeta))-
RN: 112516-06-0
InChIKey: XNJGKVODMTWWSP-MDLHAAJVSA-N

Molecular Formula

  • C24-H38-O7

Molecular Weight

  • 438.557
 
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Names and Synonyms

  • 2-Butenoic acid, 2-methyl-, decahydro-1,6-dihydroxy-3a,6-dimethyl-1-(1-methylethyl)-8-(2-methyl-1-oxopropoxy)-5-oxo-4-azulenyl ester, (1S-(1alpha,3aalpha,4beta(Z),6beta,8beta,8abeta))-

Registry Numbers

CAS Registry Number

  • 112516-06-0

System Generated Number

  • 0112516060

Structure Descriptors

InChI

1S/C24H38O7/c1-9-15(6)21(27)31-19-18(25)23(8,28)12-16(30-20(26)13(2)3)17-22(19,7)10-11-24(17,29)14(4)5/h9,13-14,16-17,19,28-29H,10-12H2,1-8H3/b15-9-/t16-,17+,19+,22-,23-,24-/m1/s1

InChIKey

XNJGKVODMTWWSP-MDLHAAJVSA-N

Smiles

C(\C(=C/C)C)(=O)O[C@@H]1[C@@]2(CC[C@]([C@H]2[C@@H](C[C@@](C1=O)(C)O)OC(C(C)C)=O)(C(C)C)O)C