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Substance Name: Decanoic acid, (1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,6,8-trimethyl-9a-((2-methyl-1-oxo-2-butenyl)oxy)-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-1-yl)methyl ester, (1S-(1alpha,1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9aalpha(Z)))
RN: 52163-39-0
InChIKey: ZRAXEOKZCHGRCS-WIDCVPCSSA-N

Molecular Formula

  • C35-H52-O8

Molecular Weight

  • 600.788
 
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Names and Synonyms

  • Decanoic acid, (1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,6,8-trimethyl-9a-((2-methyl-1-oxo-2-butenyl)oxy)-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-1-yl)methyl ester, (1S-(1alpha,1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9aalpha(Z)))

Registry Numbers

CAS Registry Number

  • 52163-39-0

System Generated Number

  • 0052163390

Structure Descriptors

InChI

1S/C35H52O8/c1-7-9-10-11-12-13-14-15-28(37)42-21-32(6)29-26-17-25(20-36)19-33(40)27(16-23(4)30(33)38)35(26,41)24(5)18-34(29,32)43-31(39)22(3)8-2/h8,16-17,24,26-27,29,36,40-41H,7,9-15,18-21H2,1-6H3/b22-8-/t24-,26+,27-,29-,32-,33-,34?,35-/m1/s1

InChIKey

ZRAXEOKZCHGRCS-WIDCVPCSSA-N

Smiles

C(CCCCCCCCC)(=O)OC[C@@]1([C@@H]2[C@@]1(C[C@H]([C@@]1([C@@H]3C=C(C([C@@]3(CC(=C[C@@H]21)CO)O)=O)C)O)C)OC(\C(=C/C)C)=O)C