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Substance Name: Alloside B
RN: 142735-55-5
InChIKey: JPJDIOVDAAVUNF-VQEDGKDMSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C39-H66-O14

Molecular Weight

  • 758.9364
 
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Names and Synonyms

Results Name

  • Alloside B

Synonym

  • Alloside B

Systematic Name

  • beta-D-Galactopyranoside, (1-beta,3-beta,16-beta,22S)-1-(beta-D-glucopyranosyloxy)-3,22-dihydroxycholest-5-en-16-yl

Registry Numbers

CAS Registry Number

  • 142735-55-5

System Generated Number

  • 0142735555

Structure Descriptors

InChI

1S/C39H66O14/c1-17(2)6-9-24(43)18(3)29-25(50-36-34(48)32(46)30(44)26(15-40)51-36)14-23-21-8-7-19-12-20(42)13-28(39(19,5)22(21)10-11-38(23,29)4)53-37-35(49)33(47)31(45)27(16-41)52-37/h7,17-18,20-37,40-49H,6,8-16H2,1-5H3/t18-,20?,21?,22?,23?,24?,25-,26-,27-,28?,29+,30+,31-,32+,33+,34-,35-,36+,37+,38+,39+/m1/s1

InChIKey

JPJDIOVDAAVUNF-VQEDGKDMSA-N

Smiles

C[C@@H]([C@H]1[C@@H](CC2[C@@]1(CCC3C2CC=C4[C@@]3(C(CC(C4)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)O[C@@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)C(CCC(C)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD unreported > 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 29, Pg. 547, 1995.