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Substance Name: Methylprotodioscin
RN: 54522-52-0
UNII: 1VJB6VV6IA
InChIKey: HSSJYSJXBOCKQM-LXNCCRCLSA-N

Note

  • Isolated from the root of Asparagus cochinchinensis.

Molecular Formula

  • C52-H86-O22

Molecular Weight

  • 1063.23
 
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Names and Synonyms

Results Name

  • Methylprotodioscin

Name of Substance

  • Methylprotodioscin

Synonyms

  • CCRIS 4125
  • UNII-1VJB6VV6IA

Systematic Names

  • beta-D-Glucopyranoside, (3beta,25R)-26-(beta-D-glucopyranosyloxy)-22-methoxyfurost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(6-deoxy-alpha-L-mannopyranosyl-(1-4))-
  • Methylprotodioscin

Registry Numbers

CAS Registry Number

  • 54522-52-0

FDA UNII

  • 1VJB6VV6IA

System Generated Number

  • 0054522520

Structure Descriptors

InChI

1S/C52H86O22/c1-21(20-66-46-40(61)39(60)36(57)31(18-53)70-46)10-15-52(65-7)22(2)33-30(74-52)17-29-27-9-8-25-16-26(11-13-50(25,5)28(27)12-14-51(29,33)6)69-49-45(73-48-42(63)38(59)35(56)24(4)68-48)43(64)44(32(19-54)71-49)72-47-41(62)37(58)34(55)23(3)67-47/h8,21-24,26-49,53-64H,9-20H2,1-7H3/t21-,22+,23+,24+,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+,52-/m1/s1

InChIKey

HSSJYSJXBOCKQM-LXNCCRCLSA-N

Smiles

O([C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C[C@@H](CC[C@@]1(O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@H]6[C@@H](O[C@@H]7O[C@H]([C@@H]([C@H]([C@H]7O)O)O)C)[C@H]([C@@H]([C@H](O6)CO)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](C)O6)O)O)O)O)CC[C@@]5(C)[C@H]4CC[C@@]3([C@@H]2[C@@H]1C)C)OC)C