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Substance Name: Yuccoside H
RN: 96638-43-6
InChIKey: VSYMAEVZKCKIES-PFXOOTJMSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Weight

  • 1389.4816
 
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Names and Synonyms

  • Yuccoside H

Registry Numbers

CAS Registry Number

  • 96638-43-6

System Generated Number

  • 0096638436

Structure Descriptors

InChI

1S/C63H104O33/c1-22-7-12-63(84-20-22)23(2)36-29(96-63)14-28-26-6-5-24-13-25(8-10-61(24,3)27(26)9-11-62(28,36)4)85-56-49(81)44(76)53(34(19-68)89-56)94-60-54(95-59-50(82)45(77)52(33(18-67)90-59)93-58-47(79)41(73)38(70)31(16-65)87-58)42(74)39(71)35(91-60)21-83-55-48(80)43(75)51(32(17-66)88-55)92-57-46(78)40(72)37(69)30(15-64)86-57/h22-60,64-82H,5-21H2,1-4H3/t22-,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-,52-,53+,54+,55+,56+,57-,58-,59-,60-,61-,62-,63+/m0/s1

InChIKey

VSYMAEVZKCKIES-PFXOOTJMSA-N

Smiles

C[C@H]1CC[C@@]2([C@H](C3C(O2)CC4[C@@]3(CCC5C4CC[C@H]6[C@@]5(CCC(C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@H]2[C@@H]([C@H]([C@@H](C(O2)CO)O)O)O)O)O)O)O)C)C)C)OC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 7mg/kg (7mg/kg)   Pharmaceutical Chemistry Journal Vol. 11, Pg. 749, 1977.