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Substance Name: 7-Benzoylingol-3,8,12-triacetate
RN: 135467-87-7
InChIKey: LPVJWXJBZPCDLM-HUWNQDJBSA-N

Note

  • From Euphorbia garuana.

Molecular Formula

  • C33-H40-O10

Molecular Weight

  • 596.669
 
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Names and Synonyms

Name of Substance

  • 7-Benzoylingol-3,8,12-triacetate

Synonyms

  • 7-Benzoyl-ingol-3,8,12-acetate
  • 7-Boat

Systematic Name

  • 4a,7a-Epoxy-5H-cyclopenta(a)cyclopropa(f)cyclodecen-4(1H)-one, 2,7,11-tris(acetyloxy)-10-(benzoyloxy)-1a,2,3,6,7,10,11,11a-octahydro-1,1,3,6,9-pentamethyl-, (1aS-(1aR*,2R*,3S*,4aR*,6S*,7S*,7aS*,8E,10R*,11R*,11aS*))-

Registry Numbers

CAS Registry Number

  • 135467-87-7

System Generated Number

  • 0135467877

Structure Descriptors

InChI

1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(39-19(4)34)23-24(31(23,7)8)27(40-20(5)35)25(16)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14-/t17-,18-,23-,24+,25+,26-,27+,29-,32-,33-/m1/s1

InChIKey

LPVJWXJBZPCDLM-HUWNQDJBSA-N

Smiles

C1([C@@]23[C@@](C=C([C@@H]([C@H]([C@@H]4[C@@H]([C@@H]([C@H]1C)OC(=O)C)C4(C)C)OC(=O)C)OC(c1ccccc1)=O)C)([C@@H]([C@@H](C2)C)OC(=O)C)O3)=O