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Substance Name: 2-Butenoic acid, 2-methyl-, 1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-1,1,3,6,8-pentamethyl-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl ester, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9aalpha))-
RN: 57379-42-7
InChIKey: RMWKIERFMJUYDV-YVFCAIHKSA-N

Molecular Formula

  • C25-H34-O5

Molecular Weight

  • 414.5386
 
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Names and Synonyms

  • 2-Butenoic acid, 2-methyl-, 1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-1,1,3,6,8-pentamethyl-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl ester, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9aalpha))-

Registry Numbers

CAS Registry Number

  • 57379-42-7

System Generated Number

  • 0057379427

Structure Descriptors

InChI

1S/C25H34O5/c1-8-14(3)21(27)30-24-12-16(5)25(29)17(19(24)22(24,6)7)9-13(2)11-23(28)18(25)10-15(4)20(23)26/h8-10,16-19,28-29H,11-12H2,1-7H3/b14-8+/t16-,17+,18-,19-,23-,24+,25-/m1/s1

InChIKey

RMWKIERFMJUYDV-YVFCAIHKSA-N

Smiles

C\C=C(/C)\C(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(C)C[C@@]4(O)[C@H]3C=C(C)C4=O)[C@@H]1C2(C)C