Acrihellin

CAS Registry Number®

67696-82-6

CAS Name

Acrihellin

Molecular Formula

C29H38O7

Molecular Mass

498.61

Cite this Page

Acrihellin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=67696-82-6 (retrieved 2024-11-22) (CAS RN: 67696-82-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H38O7/c1-18(2)14-25(32)36-20-6-11-27(17-30)22-7-10-26(3)21(19-4-5-24(31)35-16-19)9-13-29(26,34)23(22)8-12-28(27,33)15-20/h4-5,14,16-17,20-23,33-34H,6-13,15H2,1-3H3/t20-,21+,22-,23+,26+,27-,28-,29-/m0/s1

InChIKey

InChIKey=RIOSSPWEPWYRLD-SBQWKNPYSA-N

SMILES

C(=O)[C@@]12[C@@]3([C@]([C@]4(O)[C@](C)(CC3)[C@H](CC4)C=5C=CC(=O)OC5)(CC[C@]1(O)C[C@@H](OC(C=C(C)C)=O)CC2)[H])[H]

Canonical SMILES

O=CC12CCC(OC(=O)C=C(C)C)CC2(O)CCC3C1CCC4(C)C(C5=COC(=O)C=C5)CCC34O

Other Names for this Substance

  • Bufa-20,22-dienolide, 5,14-dihydroxy-3-[(3-methyl-1-oxo-2-butenyl)oxy]-19-oxo-, (3β,5β)-
  • (3β,5β)-5,14-Dihydroxy-3-[(3-methyl-1-oxo-2-butenyl)oxy]-19-oxobufa-20,22-dienolide
  • Acrihellin

CAS INSIGHTSTM
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