Bryotoxin A

CAS Registry Number®

101329-50-4
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CAS Name

Bryotoxin A

Molecular Formula

C32H42O12

Molecular Mass

618.67

Cite this Page

Bryotoxin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=101329-50-4 (retrieved 2024-05-13) (CAS RN: 101329-50-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H42O12/c1-16-12-22(43-17(2)34)25(36)28(42-16)44-19-6-9-30(15-33)24-21(7-10-31(30,39)13-19)32(40)11-8-20(18-4-5-23(35)41-14-18)29(32,3)27(38)26(24)37/h4-5,14-16,19-22,24-26,28,36-37,39-40H,6-13H2,1-3H3

InChIKey

InChIKey=KWKQJZASURFCDP-UHFFFAOYSA-N

SMILES

C(=O)C12C3C(C4(O)C(C)(C(=O)C3O)C(CC4)C=5C=CC(=O)OC5)CCC1(O)CC(OC6C(O)C(OC(C)=O)CC(C)O6)CC2

Canonical SMILES

O=CC12CCC(OC3OC(C)CC(OC(=O)C)C3O)CC2(O)CCC4C1C(O)C(=O)C5(C)C(C6=COC(=O)C=C6)CCC45O

Other Names for this Substance

  • Bufa-20,22-dienolide, 3-[(3-O-acetyl-4,6-dideoxy-β-D-arabino-hexopyranosyl)oxy]-5,11,14-trihydroxy-12,19-dioxo-, (3β,5β,11α)-
  • (3β,5β,11α)-3-[(3-O-Acetyl-4,6-dideoxy-β-D-arabino-hexopyranosyl)oxy]-5,11,14-trihydroxy-12,19-dioxobufa-20,22-dienolide
  • Bryotoxin A

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