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Substance Name: Toosendanin
RN: 58812-37-6
InChIKey: NAHTXVIXCMUDLF-SLWGVJJJSA-N

Note

  • From the bark of Melia toosendan.

Molecular Formula

  • C30-H38-O11

Molecular Weight

  • 574.6192
 
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Names and Synonyms

Name of Substance

  • Toosendanin

Synonyms

  • BRN 1674886
  • Chuanliansu
  • Toosendanin

Systematic Names

  • 24-Norchola-20,22-diene-4-carboxaldehyde, 3,12-bis(acetyloxy)-14,15:21,23-diepoxy-1,7,19-trihydroxy-4,8-dimethyl-11-oxo-, cyclic 4,19-hemiacetal, (1-alpha,3-alpha,4-beta(R), 5-alpha,7-alpha,12-alpha,13-alpha,14-beta,15-beta,17-alpha)-
  • Toosendanin

Registry Numbers

CAS Registry Number

  • 58812-37-6

Other Registry Numbers

  • 66052-48-0
  • 79304-40-8

System Generated Number

  • 0058812376

Structure Descriptors

InChI

1S/C30H38O11/c1-13(31)39-20-10-19(34)29-12-38-25(36)26(20,3)17(29)9-18(33)28(5)23(29)22(35)24(40-14(2)32)27(4)16(15-6-7-37-11-15)8-21-30(27,28)41-21/h6-7,11,16-21,23-25,33-34,36H,8-10,12H2,1-5H3/t16-,17-,18+,19-,20+,21+,23-,24-,25+,26?,27+,28+,29+,30+/m0/s1

InChIKey

NAHTXVIXCMUDLF-SLWGVJJJSA-N

Smiles

C1[C@H](O)[C@]23[C@H]([C@@]([C@@H]1OC(=O)C)([C@@H](OC2)O)C)C[C@@H](O)[C@@]1([C@@H]3C([C@H](OC(C)=O)[C@@]2([C@@]31[C@H](C[C@H]2c1cocc1)O3)C)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 13800ug/kg (13.8mg/kg)   Zhongcaoyao. Chinese Traditional and Herbal Medicine. Vol. 13, Pg. 317, 1982.
mouse LD50 intravenous 14600ug/kg (14.6mg/kg)   Zhongcaoyao. Chinese Traditional and Herbal Medicine. Vol. 13, Pg. 317, 1982.
mouse LD50 oral 244mg/kg (244mg/kg)   Zhongcaoyao. Chinese Traditional and Herbal Medicine. Vol. 13, Pg. 317, 1982.
mouse LD50 subcutaneous 14300ug/kg (14.3mg/kg)   Zhongcaoyao. Chinese Traditional and Herbal Medicine. Vol. 13, Pg. 317, 1982.
rabbit LD50 intravenous 4200ug/kg (4.2mg/kg)   Zhongcaoyao. Chinese Traditional and Herbal Medicine. Vol. 13, Pg. 317, 1982.
rat LD50 intraperitoneal 98mg/kg (98mg/kg)   Zhongcaoyao. Chinese Traditional and Herbal Medicine. Vol. 13, Pg. 317, 1982.