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Substance Name: Dehydrocommersonine
RN: 65428-74-2
UNII: 8ORO1FQM8B
InChIKey: PNSNMPAXFQRVOV-LUBYFOPBSA-N

Molecular Formula

  • C51-H83-N-O21

Molecular Weight

  • 1046.2027
 
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Names and Synonyms

Name of Substance

  • Dehydrocommersonine

Synonyms

  • (3beta)-Solanid-5-en-3-yl o-beta-D-glucopyranosyl-(1->2)-O-(beta-D-glucopyranosyl-(1->3))-o-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside
  • 5,6-Didehydrocommersonine
  • beta-D-Galactopyranoside, (3beta)-solanid-5-en-3-yl o-beta-D-glucopyranosyl-(1->2)-O-(beta-D-glucopyranosyl-(1->3))-o-beta-D-glucopyranosyl-(1->4)-
  • Dehydrocommersonine
  • Didehydrocommersonine
  • UNII-8ORO1FQM8B

Registry Numbers

CAS Registry Number

  • 65428-74-2

FDA UNII

  • 8ORO1FQM8B

System Generated Number

  • 0065428742

Structure Descriptors

InChI

1S/C51H83NO21/c1-20-5-8-27-21(2)33-28(52(27)15-20)14-26-24-7-6-22-13-23(9-11-50(22,3)25(24)10-12-51(26,33)4)66-46-42(65)39(62)43(32(19-56)70-46)71-49-45(73-48-41(64)38(61)35(58)30(17-54)68-48)44(36(59)31(18-55)69-49)72-47-40(63)37(60)34(57)29(16-53)67-47/h6,20-21,23-49,53-65H,5,7-19H2,1-4H3/t20-,21+,23-,24+,25-,26-,27+,28-,29+,30+,31+,32+,33-,34+,35+,36+,37-,38-,39+,40+,41+,42+,43-,44-,45+,46+,47-,48-,49-,50-,51-/m0/s1

InChIKey

PNSNMPAXFQRVOV-LUBYFOPBSA-N

Smiles

C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@H](CC[C@]6(C)[C@H]5CC[C@]34C)O[C@@H]7O[C@H](CO)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H]8O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]7O)N2C1