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Substance Name: Delphinine
RN: 561-07-9
UNII: IN41I78D7R
InChIKey: REVYTWNGZDPRKE-KESPAZQLSA-N

Molecular Formula

  • C33-H45-N-O9

Molecular Weight

  • 599.7165
 
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Names and Synonyms

Name of Substance

  • Delphinine

Synonyms

  • Delphinine
  • EINECS 209-214-0
  • NSC 56463
  • UNII-IN41I78D7R

Systematic Names

  • Aconitane-8,13,14-triol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1alpha,6alpha,14alpha,16beta)-
  • Delphinine

Registry Numbers

CAS Registry Number

  • 561-07-9

FDA UNII

  • IN41I78D7R

System Generated Number

  • 0000561079

Structure Descriptors

InChI

1S/C33H45NO9/c1-18(35)43-32-15-22(40-5)31(37)14-20(23(32)28(31)42-29(36)19-10-8-7-9-11-19)33-21(39-4)12-13-30(17-38-3)16-34(2)27(33)24(32)25(41-6)26(30)33/h7-11,20-28,37H,12-17H2,1-6H3/t20-,21+,22+,23-,24+,25+,26-,27+,28-,30+,31+,32-,33+/m1/s1

InChIKey

REVYTWNGZDPRKE-KESPAZQLSA-N

Smiles

COC[C@@]12CC[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@H](C[C@@](OC(=O)C)([C@H]5[C@H]6OC(=O)c7ccccc7)[C@@H]([C@H](OC)[C@H]13)[C@H]4N(C)C2)OC