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Substance Name: 2-Butenoic acid, 2-methyl-, (E)-, monoester with (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8aalpha,9beta,9aalpha))-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one monobutanoate
RN: 87016-77-1
InChIKey: MOJMNMJBUZLEQJ-OFQVGYBKSA-N

Molecular Formula

  • C29-H40-O8

Molecular Weight

  • 516.627
 
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Names and Synonyms

  • 2-Butenoic acid, 2-methyl-, (E)-, monoester with (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8aalpha,9beta,9aalpha))-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one monobutanoate

Registry Numbers

CAS Registry Number

  • 87016-77-1

System Generated Number

  • 0087016771

Structure Descriptors

InChI

1S/C29H40O8/c1-8-10-21(31)37-27-13-18(14-30)12-19-22-26(6,7)29(22,35)24(36-25(33)15(3)9-2)17(5)28(19,34)20(27)11-16(4)23(27)32/h9,11-12,17,19-20,22,24,30,34-35H,8,10,13-14H2,1-7H3/b15-9+/t17-,19+,20-,22-,24-,27-,28-,29-/m1/s1

InChIKey

MOJMNMJBUZLEQJ-OFQVGYBKSA-N

Smiles

CCCC(=O)O[C@]12CC(=C[C@H]3[C@@H]4C(C)(C)[C@]4(O)[C@H](OC(=O)\C(=C\C)\C)[C@@H](C)[C@]3(O)[C@@H]1C=C(C)C2=O)CO