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Substance Name: 2-Butenoic acid, 2-methyl-, (1aR,2R,3S,4aR,6S,7S,7aS,8E,10R,11R,11aS)-2,7-bis(acetyloxy)-1,1a,2,3,4,6,7,10,11,11a-decahydro-11-hydroxy-1,1,3,6,9-pentamethyl-4-oxo-4a,7a-epoxy-5H-cyclopenta(a)cyclopropa(f)cycloundecen-10-yl ester, (2E)-
RN: 82513-30-2
InChIKey: JCDHPWIMRDHSED-BWINVZHUSA-N

Molecular Weight

  • 532.626
 
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Names and Synonyms

  • 2-Butenoic acid, 2-methyl-, (1aR,2R,3S,4aR,6S,7S,7aS,8E,10R,11R,11aS)-2,7-bis(acetyloxy)-1,1a,2,3,4,6,7,10,11,11a-decahydro-11-hydroxy-1,1,3,6,9-pentamethyl-4-oxo-4a,7a-epoxy-5H-cyclopenta(a)cyclopropa(f)cycloundecen-10-yl ester, (2E)-

Registry Numbers

CAS Registry Number

  • 82513-30-2

System Generated Number

  • 0082513302

Structure Descriptors

InChI

1S/C29H40O9/c1-10-13(2)26(34)37-22-14(3)11-29-25(36-18(7)31)15(4)12-28(29,38-29)24(33)16(5)23(35-17(6)30)20-19(21(22)32)27(20,8)9/h10-11,15-16,19-23,25,32H,12H2,1-9H3/b13-10+,14-11-/t15-,16-,19+,20-,21+,22+,23-,25-,28-,29-/m0/s1

InChIKey

JCDHPWIMRDHSED-BWINVZHUSA-N

Smiles

C(\C(=C\C)C)(=O)O[C@H]1[C@@H]([C@H]2[C@H]([C@H]([C@@H](C([C@]34[C@](C=C1C)([C@H]([C@H](C3)C)OC(=O)C)O4)=O)C)OC(=O)C)C2(C)C)O