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Substance Name: 3-(3,4-Dimethyl-2-pentenoyl)bruceantin
RN: 76215-40-2
InChIKey: LXEYSQZFCYDOPU-RMQNFBSTSA-N

Molecular Formula

  • C35-H36-O12

Molecular Weight

  • 658.7364
 
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Names and Synonyms

Results Name

  • 3-(3,4-Dimethyl-2-pentenoyl)bruceantin

Synonym

  • 3-(3,4-Dimethyl-2-pentenoyl)bruceantin

Systematic Name

  • Picras-3-en-21-oic acid, 3,15-bis((3,4-dimethyl-1-oxo-2-pentenyl)oxy)-13,20-epoxy-11,12-dihydroxy-2,16-dioxo-, methyl ester, (3(E),11beta,12alpha,15beta(E))-

Registry Numbers

CAS Registry Number

  • 76215-40-2

System Generated Number

  • 0076215402

Structure Descriptors

InChI

1S/C35H46O12/c1-15(2)17(5)10-23(37)46-26-19(7)20-12-22-34-14-44-35(32(42)43-9,30(40)25(39)28(34)33(20,8)13-21(26)36)29(34)27(31(41)45-22)47-24(38)11-18(6)16(3)4/h10-11,15-16,20,22,25,27-30,39-40H,12-14H2,1-9H3/b17-10+,18-11+/t20-,22+,25+,27+,28+,29+,30-,33-,34?,35+/m0/s1

InChIKey

LXEYSQZFCYDOPU-RMQNFBSTSA-N

Smiles

CC1=C(C(=O)C[C@]2([C@H]1C[C@@H]3C45[C@@H]2[C@H]([C@@H]([C@@]([C@@H]4[C@H](C(=O)O3)OC(=O)/C=C(\C)/C(C)C)(OC5)C(=O)OC)O)O)C)OC(=O)/C=C(\C)/C(C)C