9,21-Didehydroryanodine

CAS Registry Number®

94513-55-0
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CAS Name

9,21-Didehydroryanodine

Molecular Formula

C25H33NO9

Molecular Mass

491.53

Cite this Page

9,21-Didehydroryanodine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=94513-55-0 (retrieved 2024-04-26) (CAS RN: 94513-55-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H33NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-7,10,12,15,17,26-27,29-33H,3,8-9,11H2,1-2,4-5H3/t15-,17-,18+,19+,20+,21+,22-,23-,24-,25-/m1/s1

InChIKey

InChIKey=BPFNBBLVUYSFRK-OHEPIYSBSA-N

SMILES

O[C@@]12[C@@]34[C@@](O)([C@@]5(C)[C@]1(O)[C@H](OC(=O)C6=CC=CN6)[C@@]([C@@H](C)C)(O)[C@]2(C)[C@@](O)(O3)C5)CCC(=C)[C@H]4O

Canonical SMILES

O=C(OC1C(O)(C(C)C)C2(C)C3(O)OC45C(O)C(=C)CCC4(O)C(C)(C3)C1(O)C52O)C6=CC=CN6

Other Names for this Substance

  • 1H-Pyrrole-2-carboxylic acid, (4R,4aR,6S,6aS,7S,8R,8aS,8bR,9S,9aS)-dodecahydro-4,6,7,8a,8b,9a-hexahydroxy-6a,9-dimethyl-3-methylene-7-(1-methylethyl)-6,9-methanobenzo[1,2]pentaleno[1,6-bc]furan-8-yl ester
  • Ryanodol, 9,21-didehydro-, 3-(1H-pyrrole-2-carboxylate)
  • 9,21-Didehydroryanodine
  • Δ9,21-Dehydroryanodine
  • Dehydroryanodine

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