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Substance Name: Methyl 3-isobutyryloxy-1-oxomeliac-8(30)-enate
RN: 28057-72-9
InChIKey: QBQQKHZEHKZMJF-NXUSYKNTSA-N

Note

  • Isolated from seeds of Carapa procera.

Molecular Formula

  • C31-H40-O8

Molecular Weight

  • 540.649
 
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Names and Synonyms

Name of Substance

  • Methyl 3-isobutyryloxy-1-oxomeliac-8(30)-enate

Synonym

  • MIOE

Systematic Name

  • 7,11-Methano-2H-cycloocta(f)(2)benzopyran-8-acetic acid, 4-(3-furanyl)-1,4a,5,6,6a,7,8,9,10,11,12b-dodecahydro-4a,7,9,9-tetramethyl-10-(2-methyl-1-oxopropoxy)-2,13-dioxo-, methyl ester, (4alpha,4aalpha,6aalpha,7alpha,8alpha,10beta,11alpha,12balpha)-

Registry Numbers

CAS Registry Number

  • 28057-72-9

System Generated Number

  • 0028057729

Structure Descriptors

InChI

1S/C31H40O8/c1-16(2)28(35)39-27-19-12-18-20(31(6,25(19)34)22(29(27,3)4)14-23(32)36-7)8-10-30(5)21(18)13-24(33)38-26(30)17-9-11-37-15-17/h9,11-12,15-16,19-22,26-27H,8,10,13-14H2,1-7H3/t19-,20-,21-,22-,26-,27+,30+,31-/m0/s1

InChIKey

QBQQKHZEHKZMJF-NXUSYKNTSA-N

Smiles

CC(C)C(=O)O[C@@H]1[C@H]2C=C3[C@H](CC[C@@]4([C@H]3CC(=O)O[C@H]4c5ccoc5)C)[C@](C2=O)([C@H](C1(C)C)CC(=O)OC)C