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Substance Name: Zygadenine
RN: 545-45-9
UNII: 0N72U4OAF7
InChIKey: NPNDUIMQBJIGQS-IDFKWMMPSA-N

Molecular Formula

  • C27-H43-N-O7

Molecular Weight

  • 493.6367
 
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Names and Synonyms

Name of Substance

  • Zygadenine

Synonyms

  • UNII-0N72U4OAF7
  • Zygadenin

Systematic Name

  • Cevane-3,4,14,15,16,20-hexol, 4,9-epoxy-, (3beta,4alpha,15alpha,16beta)-

Registry Numbers

CAS Registry Number

  • 545-45-9

FDA UNII

  • 0N72U4OAF7

System Generated Number

  • 0000545459

Structure Descriptors

InChI

1S/C27H43NO7/c1-13-4-7-18-24(3,32)20-14(12-28(18)11-13)15-10-25-17(26(15,33)22(31)21(20)30)6-5-16-23(25,2)9-8-19(29)27(16,34)35-25/h13-22,29-34H,4-12H2,1-3H3/t13-,14-,15-,16-,17+,18-,19-,20+,21+,22-,23-,24+,25+,26-,27-/m0/s1

InChIKey

NPNDUIMQBJIGQS-IDFKWMMPSA-N

Smiles

C[C@H]1CC[C@@H]2N(C1)C[C@H]3[C@@H]4C[C@]56O[C@]7(O)[C@@H](O)CC[C@@]5(C)[C@@H]7CC[C@H]6[C@]4(O)[C@@H](O)[C@H](O)[C@@H]3[C@]2(C)O