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Substance Name: Vertaline B
RN: 118985-28-7
InChIKey: BMGBVZMEIAHUFA-CUAWSUMVSA-N

Note

  • Steroidal alkaloid from Veratrum taliense Lose.

Molecular Formula

  • C27-H45-N-O3

Molecular Weight

  • 431.6565
 
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Names and Synonyms

Name of Substance

  • Vertaline B

Synonym

  • 22,26-Epiminocholest-5-ene-3,16,20-triol

Systematic Name

  • 16,28-Secosolanid-5-ene-3,16,20-triol, (3beta,16beta)-

Registry Numbers

CAS Registry Number

  • 118985-28-7

System Generated Number

  • 0118985287

Structure Descriptors

InChI

1S/C27H45NO3/c1-16-5-8-23(28-15-16)27(4,31)24-22(30)14-21-19-7-6-17-13-18(29)9-11-25(17,2)20(19)10-12-26(21,24)3/h6,16,18-24,28-31H,5,7-15H2,1-4H3/t16-,18-,19+,20-,21-,22-,23?,24-,25-,26-,27-/m0/s1

InChIKey

BMGBVZMEIAHUFA-CUAWSUMVSA-N

Smiles

C[C@H]1CCC(NC1)[C@@](C)([C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)O)O