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Substance Name: Roritoxin A
RN: 102852-48-2
InChIKey: BBRXIMOXXQYCCP-JBQVEOKHSA-N

Molecular Weight

  • 542.578
 
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Names and Synonyms

Name of Substance

  • Roritoxin A

Synonym

  • Vertisporin, 7',8'-didehydro-

Registry Numbers

CAS Registry Number

  • 102852-48-2

System Generated Number

  • 0102852482

Structure Descriptors

InChI

1S/C29H34O10/c1-16-6-9-27-14-34-22(31)12-17-7-10-35-28(23(32)25(33)39-24(17)28)8-4-3-5-21(30)38-18-13-20(37-19(27)11-16)29(15-36-29)26(18,27)2/h3-5,8,11-12,18-20,23-25,32-33H,6-7,9-10,13-15H2,1-2H3/b5-3+,8-4-,17-12-

InChIKey

BBRXIMOXXQYCCP-JBQVEOKHSA-N

Smiles

C1=CC(O[C@@H]2C[C@@H]3[C@@]4([C@@]2(C)[C@@]2(COC(=O)C=C5[C@@H]6O[C@@H]([C@@H]([C@@]6(OCC5)C=C1)O)O)CCC(=C[C@@H]2O3)C)CO4)=O