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Substance Name: Veratrine sulfate
RN: 15585-38-3
InChIKey: AJAXXRVVAGPERJ-BZLHNGMOSA-N

Molecular Formula

  • C32-H49-N-O9.x-H2-O4-S

Molecular Weight

  • 692.839
 
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Names and Synonyms

Results Name

  • Veratrine sulfate

Synonym

  • Veratrine sulfate

Systematic Name

  • Cevane-3,4,12,14,16,17,20-heptol, 4,9-epoxy-, 3-(2-methyl-2-butenoate), (3beta(Z),alpha,16beta)-, sulfate (salt)

Registry Numbers

CAS Registry Number

  • 15585-38-3

System Generated Number

  • 0015585383

Molecular Formulas

Molecular Formula

  • C32-H49-N-O9.x-H2-O4-S

Molecular Formula Fragments

  • C32-H49-N-O9
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C32H52NO9.H2O4S/c1-6-18(3)25(35)41-24-11-12-26(4)19-8-9-20-28(37)13-23(34)31(39)21(29(28,38)16-30(20,26)42-32(19,24)40)15-33-14-17(2)7-10-22(33)27(31,5)36;1-5(2,3)4/h6,17,19-24,28-29,31,34,36-40H,7-16H2,1-5H3;(H2,1,2,3,4)/b18-6-;/t17-,19?,20-,21-,22-,23-,24-,26-,27+,30?,32-;/m0./s1

InChIKey

AJAXXRVVAGPERJ-BZLHNGMOSA-N

Smiles

C1[C@H](OC(\C(=C/C)C)=O)[C@]2(O)O[C@@]34C[C@@H]5([C@@H]6C[N@@]7C[C@H](CC[C@H]7[C@@]([C@@H]6([C@H](C[C@@H]5([C@@H]3CC[C@@H]2[C@@]4(C1)C)O)O)O)(C)O)C)O.S(=O)(=O)(O)O