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Substance Name: 2-Butenoic acid, 2-methyl-, 6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-4-(2-methyl-1-oxobutoxy)-7-(3-methyl-1-oxobutoxy)-2-oxoazuleno(4,5-b)furan-8-yl ester
RN: 81127-21-1
InChIKey: XHFQVCZACDPUSC-SFQUDFHCSA-N

Molecular Weight

  • 622.703
 
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Names and Synonyms

  • 2-Butenoic acid, 2-methyl-, 6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-4-(2-methyl-1-oxobutoxy)-7-(3-methyl-1-oxobutoxy)-2-oxoazuleno(4,5-b)furan-8-yl ester

Registry Numbers

CAS Registry Number

  • 81127-21-1

System Generated Number

  • 0081127211

Structure Descriptors

InChI

1S/C32H46O12/c1-11-16(5)27(35)40-20-14-30(9,44-19(8)33)23-22(26-32(20,39)31(10,38)29(37)43-26)18(7)24(42-28(36)17(6)12-2)25(23)41-21(34)13-15(3)4/h12,15-16,20,23-26,38-39H,11,13-14H2,1-10H3/b17-12+

InChIKey

XHFQVCZACDPUSC-SFQUDFHCSA-N

Smiles

C(\C(=C\C)C)(=O)O[C@@H]1[C@@H]([C@@H]2[C@@](C[C@@H]([C@@]3([C@@H](OC([C@@]3(C)O)=O)C2=C1C)O)OC([C@@H](CC)C)=O)(C)OC(=O)C)OC(CC(C)C)=O