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Substance Name: Baccharinoid B4
RN: 63783-94-8
UNII: EX5DO0C8JK
InChIKey: ZGOCMMMDEQOCDU-OIFNLFKASA-N

Note

  • Isolated from Brazilian shrub.

Molecular Formula

  • C29-H38-O11

Molecular Weight

  • 562.608
 
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Names and Synonyms

Name of Substance

  • Baccharinoid B4

Synonyms

  • Baccharin B4
  • Baccharinoid B4
  • Baccharinol
  • Baccharinol B4
  • BRN 5787398
  • NSC 269756
  • UNII-EX5DO0C8JK

Systematic Name

  • Verrucarin A, 7'-deoxo-2'-deoxy-2',3'-epoxy-4',8-dihydroxy-7'-(1-hydroxyethyl)-, (2'S,3'R,4'S,7'R(R),8R)-

Registry Numbers

CAS Registry Number

  • 63783-94-8

FDA UNII

  • EX5DO0C8JK

System Generated Number

  • 0063783948

Structure Descriptors

InChI

1S/C29H38O11/c1-15-9-21-28(11-17(15)31)13-36-25(34)24-26(3,40-24)19(32)12-35-18(16(2)30)7-5-6-8-23(33)39-20-10-22(38-21)29(14-37-29)27(20,28)4/h5-9,16-22,24,30-32H,10-14H2,1-4H3/b7-5+,8-6-/t16-,17-,18-,19+,20-,21-,22-,24-,26-,27-,28-,29+/m1/s1

InChIKey

ZGOCMMMDEQOCDU-OIFNLFKASA-N

Smiles

O1[C@H]2[C@@]1([C@H](CO[C@H](C=CC=CC(O[C@H]1[C@@]3([C@@]4(C[C@@H](O)C(=C[C@H]4O[C@H]([C@]43OC4)C1)C)COC2=O)C)=O)[C@H](O)C)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 5mg/kg (5mg/kg)   Toxicology Letters. Vol. 50, Pg. 57, 1990.