Bryophyllin A

CAS Registry Number®

105608-32-0

CAS Name

Bryophyllin A

Molecular Formula

C26H32O8

Molecular Mass

472.53

Cite this Page

Bryophyllin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=105608-32-0 (retrieved 2025-03-05) (CAS RN: 105608-32-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H32O8/c1-22-11-18(28)21-17(26(22,30)8-6-16(22)14-3-4-20(29)31-12-14)5-7-24-10-15-9-19(25(21,24)13-27)33-23(2,32-15)34-24/h3-4,12-13,15-19,21,28,30H,5-11H2,1-2H3/t15-,16+,17+,18+,19+,21+,22+,23+,24-,25+,26-/m0/s1

InChIKey

InChIKey=BMRNQSAXDJQXEL-BGJAGFQLSA-N

SMILES

C(=O)[C@@]12[C@]3(O[C@@]4(C)O[C@@]1(C[C@@](C3)(O4)[H])[H])CC[C@@]5([C@@]2([C@H](O)C[C@@]6(C)[C@]5(O)CC[C@@H]6C=7C=CC(=O)OC7)[H])[H]

Canonical SMILES

O=CC12C3OC4(OC(C3)CC2(O4)CCC5C1C(O)CC6(C)C(C7=COC(=O)C=C7)CCC56O)C

Other Names for this Substance

  • Bufa-20,22-dienolide, 1,3,5-[(1R)-ethylidynetris(oxy)]-11,14-dihydroxy-19-oxo-, (1β,3β,5β,11α)-
  • Bufa-20,22-dienolide, 1,3,5-[ethylidynetris(oxy)]-11,14-dihydroxy-19-oxo-, [1β(R),3β,5β,11α]-
  • (1β,3β,5β,11α)-1,3,5-[(1R)-Ethylidynetris(oxy)]-11,14-dihydroxy-19-oxobufa-20,22-dienolide
  • Bryotoxin C
  • Bryophyllin A

Deleted or Replaced CAS Registry Numbers

113834-84-7

CAS INSIGHTSTM
Solar power station and Coal Fired Power Station:Clean energy and coal energy