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Substance Name: 2-Butenoic acid, 2-methyl-, (E)-, monoester with (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-1b,4,5,7a,8,9-hexahydro-3-(hydroxymethyl)-1,1,6,8-tetramethyl-1H-cyclopropa(3,4)benz(1,2-e)azulene-4a,7b,9,9a(1aH)-tetrol monoacetate
RN: 87016-79-3
InChIKey: MDCYYQWNUQCOMO-OVCLIPMQSA-N

Molecular Formula

  • C27-H38-O7

Molecular Weight

  • 474.5902
 
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Names and Synonyms

  • 2-Butenoic acid, 2-methyl-, (E)-, monoester with (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-1b,4,5,7a,8,9-hexahydro-3-(hydroxymethyl)-1,1,6,8-tetramethyl-1H-cyclopropa(3,4)benz(1,2-e)azulene-4a,7b,9,9a(1aH)-tetrol monoacetate

Registry Numbers

CAS Registry Number

  • 87016-79-3

System Generated Number

  • 0087016793

Structure Descriptors

InChI

1S/C27H38O7/c1-8-15(3)23(30)33-22-16(4)26(31)19(21-24(6,7)27(21,22)32)10-18(13-28)12-25(34-17(5)29)11-14(2)9-20(25)26/h8-10,16,19-22,28,31-32H,11-13H2,1-7H3/b15-8+

InChIKey

MDCYYQWNUQCOMO-OVCLIPMQSA-N

Smiles

C\C=C(/C)\C(=O)OC1C(C)C2(O)C(C=C(CO)CC3(CC(=CC23)C)OC(=O)C)C4C(C)(C)C14O