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Substance Name: Cucurbitacin B
RN: 6199-67-3
UNII: 0115W5MABF
InChIKey: IXQKXEUSCPEQRD-DKRGWESNSA-N

Note

  • From Ipomopsis aggregata (Polemoniaceae).

Molecular Formula

  • C32-H46-O8

Molecular Weight

  • 558.7074
 
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Names and Synonyms

Name of Substance

  • Cucurbitacin B

Synonyms

  • 1,2-Dihydro-alpha-elaterin
  • 19-Nor-9beta,10alpha-lanosta-5,23-diene-3,11,22-trione, 2beta,16alpha,20,25-tetrahydroxy-9-methyl-, 25-acetate
  • 19-Norlanosta-5,23-diene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, (2beta,9beta,10alpha,16alpha,23E)-
  • 25-(Acetyloxy)-2,16,20-trihydroxy-9-methyl-19-norlanosta-5,23-diene-3,11,22-trione
  • Amarine
  • Cucurbitacin B
  • CUCURBITACIN R - DATISCA PRINCIPLE B
  • Cucurbitacine B
  • Datisca principle B
  • DATISCACIN
  • Datiscn Principle B
  • HSDB 3476
  • NSC 144154
  • NSC 49451
  • UNII-0115W5MABF

Systematic Names

  • 19-Nor-9-beta,10-alpha-lanosta-5,23-diene-3,11,22-trione, 2-beta,16-alpha,20,25-tetrahydroxy-9-methyl-, 25-acetate
  • 19-Norlanosta-5,23-diene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, (2beta,9beta,10alpha,16alpha,23E)- (9CI)

Registry Numbers

CAS Registry Number

  • 6199-67-3

FDA UNII

  • 0115W5MABF

System Generated Number

  • 0006199673

Structure Descriptors

InChI

1S/C32H46O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19-22,25,34-35,39H,11,14-16H2,1-9H3/b13-12+/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1

InChIKey

IXQKXEUSCPEQRD-DKRGWESNSA-N

Smiles

CC(=O)OC(C)(C)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 2730ug/kg (2.73mg/kg)   Zhongcaoyao. Chinese Traditional and Herbal Medicine. Vol. 23, Pg. 605, 1992.
mouse LD50 oral 14mg/kg (14mg/kg)   Zhongcaoyao. Chinese Traditional and Herbal Medicine. Vol. 23, Pg. 605, 1992.
mouse LD50 subcutaneous 1mg/kg (1mg/kg)   Zhongcaoyao. Chinese Traditional and Herbal Medicine. Vol. 23, Pg. 605, 1992.