Adhyperforin

CAS Registry Number®

143183-63-5
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CAS Name

Adhyperforin

Molecular Formula

C36H54O4

Molecular Mass

550.81

Cite this Page

Adhyperforin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=143183-63-5 (retrieved 2024-04-23) (CAS RN: 143183-63-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H54O4/c1-12-27(10)30(37)36-32(39)29(18-16-25(6)7)31(38)35(33(36)40,21-19-26(8)9)22-28(17-15-24(4)5)34(36,11)20-13-14-23(2)3/h14-16,19,27-28,39H,12-13,17-18,20-22H2,1-11H3/t27?,28-,34+,35+,36-/m0/s1

InChIKey

InChIKey=DHPDSOCOUJHGHE-ACJQSPJVSA-N

SMILES

C(C(CC)C)(=O)[C@@]12[C@@](CCC=C(C)C)(C)[C@@H](CC=C(C)C)C[C@@](CC=C(C)C)(C1=O)C(=O)C(CC=C(C)C)=C2O

Canonical SMILES

O=C1C(=C(O)C2(C(=O)C(C)CC)C(=O)C1(CC=C(C)C)CC(CC=C(C)C)C2(C)CCC=C(C)C)CC=C(C)C

Other Names for this Substance

  • Bicyclo[3.3.1]non-3-ene-2,9-dione, 4-hydroxy-6-methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxobutyl)-6-(4-methyl-3-penten-1-yl)-, (1R,5S,6R,7S)-
  • Bicyclo[3.3.1]non-3-ene-2,9-dione, 4-hydroxy-6-methyl-1,3,7-tris(3-methyl-2-butenyl)-5-(2-methyl-1-oxobutyl)-6-(4-methyl-3-pentenyl)-, [1R-(1α,5α,6β,7α)]-
  • Bicyclo[3.3.1]non-3-ene-2,9-dione, 4-hydroxy-6-methyl-1,3,7-tris(3-methyl-2-butenyl)-5-(2-methyl-1-oxobutyl)-6-(4-methyl-3-pentenyl)-, (1R,5S,6R,7S)-
  • (1R,5S,6R,7S)-4-Hydroxy-6-methyl-1,3,7-tris(3-methyl-2-buten-1-yl)-5-(2-methyl-1-oxobutyl)-6-(4-methyl-3-penten-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione
  • Adhyperforin

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