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Substance Name: 2,4,6,8-Tetradecatetraenoic 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: 77550-14-2
InChIKey: YVKMFDXQIBCBHY-CEWIBAEJSA-N

Molecular Formula

  • C36-H48-O8

Molecular Weight

  • 608.767
 
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Names and Synonyms

  • 2,4,6,8-Tetradecatetraenoic 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

  • 77550-14-2

System Generated Number

  • 0077550142

Structure Descriptors

InChI

1S/C36H48O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h11-20,24,27-28,30,32,37,41-42H,7-10,21-22H2,1-6H3/b12-11+,14-13+,16-15+,18-17+/t24-,27+,28-,30-,32-,34-,35-,36-/m1/s1

InChIKey

YVKMFDXQIBCBHY-CEWIBAEJSA-N

Smiles

C1(CO)=C[C@@H]2[C@]([C@H]3[C@@](C1)(C(C(=C3)C)=O)O)(O)[C@H](C)[C@H](OC(\C=C\C=C\C=C\C=C\CCCCC)=O)[C@@]1(OC(C)=O)C([C@@H]21)(C)C