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Substance Name: Calendulozide B
RN: 34381-98-1
InChIKey: NAIMCEFAGOEXSH-PWVHTFILSA-N

Note

  • Triglycoside of oleanolic acid.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C48-H78-O18

Molecular Weight

  • 943.126
 
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Names and Synonyms

Name of Substance

  • Calendulozide B

Synonym

  • BRN 1677294

Systematic Names

  • Calenduloside B (8CI)
  • Olean-12-en-28-oic acid, 3-((4-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy), alpha-D-glucopyranosyl ester, (3-beta)-

Registry Numbers

CAS Registry Number

  • 34381-98-1

System Generated Number

  • 0034381981

Structure Descriptors

InChI

1S/C48H78O18/c1-43(2)14-16-48(42(60)66-41-36(58)33(55)31(53)25(20-50)62-41)17-15-46(6)22(23(48)18-43)8-9-28-45(5)12-11-29(44(3,4)27(45)10-13-47(28,46)7)64-39-37(59)34(56)38(26(21-51)63-39)65-40-35(57)32(54)30(52)24(19-49)61-40/h8,23-41,49-59H,9-21H2,1-7H3/t23-,24-,25-,26-,27?,28-,29+,30+,31-,32+,33+,34-,35-,36-,37-,38-,39+,40+,41-,45+,46-,47-,48+/m1/s1

InChIKey

NAIMCEFAGOEXSH-PWVHTFILSA-N

Smiles

C1[C@@H](C(C)(C)[C@@H]2CC[C@@]3(C)[C@]4(C)CC[C@@]5(C(=O)O[C@@H]6[C@H](O)[C@@H](O)[C@H](O)[C@H](O6)CO)CCC(C)(C)C[C@H]5C4=CC[C@H]3[C@@]2(C1)C)O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@H](O2)CO)[C@H](O1)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 1gm/kg (1000mg/kg)   Farmakologiya i Toksikologiya Vol. 41, Pg. 556, 1978.
mouse LD subcutaneous > 1gm/kg (1000mg/kg)   Farmakologiya i Toksikologiya Vol. 41, Pg. 556, 1978.
mouse LDLo intraperitoneal 600mg/kg (600mg/kg)   Farmakologiya i Toksikologiya Vol. 41, Pg. 556, 1978.