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Substance Name: 2,4-Octadecadienoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-
RN: 83920-70-1
InChIKey: ABZJMGPPTFSNDM-YRLLIJPBSA-N

Molecular Weight

  • 668.906
 
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Names and Synonyms

  • 2,4-Octadecadienoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-

Registry Numbers

CAS Registry Number

  • 83920-70-1

System Generated Number

  • 0083920701

Structure Descriptors

InChI

1S/C40H60O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-33(43)47-36-28(3)39(46)31(34-37(5,6)40(34,36)48-29(4)42)24-30(26-41)25-38(45)32(39)23-27(2)35(38)44/h19-24,28,31-32,34,36,41,45-46H,7-18,25-26H2,1-6H3/b20-19+,22-21+/t28-,31+,32-,34-,36-,38-,39-,40-/m1/s1

InChIKey

ABZJMGPPTFSNDM-YRLLIJPBSA-N

Smiles

C1(=O)C(C)=C[C@H]2[C@@]3([C@H](C)[C@@H](OC(\C=C\C=C\CCCCCCCCCCCCC)=O)[C@]4(C(C)(C)[C@@H]4[C@@H]3C=C(CO)C[C@@]12O)OC(C)=O)O