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Substance Name: Cannigenin
RN: 61117-39-3
InChIKey: NCLLSOCDVMFDSK-NDFNDBBUSA-N

Molecular Formula

  • C27-H44-O4

Molecular Weight

  • 432.641
 
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Names and Synonyms

Results Name

  • Cannigenin

Synonym

  • Cannigenin

Systematic Name

  • Spirostan-1,3-diol, (1beta,3alpha,5alpha,25R)-

Registry Numbers

CAS Registry Number

  • 61117-39-3

System Generated Number

  • 0061117393

Structure Descriptors

InChI

1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,23-,24+,25+,26+,27?/m1/s1

InChIKey

NCLLSOCDVMFDSK-NDFNDBBUSA-N

Smiles

C1[C@H](C[C@@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@]6([C@H]([C@H]5[C@@]4(C)CC[C@H]3[C@@]2([C@@H]1O)C)C)OC[C@@H](CC6)C)O