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Substance Name: Cucurbitacin BE
RN: 100014-94-6
InChIKey: TUTHJLKYUALZKH-UKUBKYPJSA-N

Molecular Weight

  • 1115.4
 
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Names and Synonyms

  • Cucurbitacin BE

Registry Numbers

CAS Registry Number

  • 100014-94-6

System Generated Number

  • 0100014946

Structure Descriptors

InChI

1S/C32H46O8.C32H44O8/c2*1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19-22,25,34-35,39H,11,14-16H2,1-9H3;10,12-14,19,21-22,25,34-35,39H,11,15-16H2,1-9H3/b2*13-12+/t19-,20+,21-,22+,25+,29+,30-,31+,32+;19-,21-,22+,25+,29+,30-,31+,32+/m11/s1

InChIKey

TUTHJLKYUALZKH-UKUBKYPJSA-N

Smiles

C1([C@@H](O)C[C@H]2[C@@]3(C(C[C@@]4([C@H]([C@H](O)C[C@@]4([C@@H]3CC=C2C1(C)C)C)[C@@](O)(C(\C=C\C(OC(=O)C)(C)C)=O)C)C)=O)C)=O.C1(C(=C[C@H]2[C@@]3(C(C[C@@]4([C@H]([C@@H](C[C@@]4([C@@H]3CC=C2C1(C)C)C)O)[C@@](C(\C=C\C(C)(C)OC(=O)C)=O)(C)O)C)=O)C)O)=O