(2R,3aR,4R,5S,7R,7aS)-Hexahydro-7a-hydroxy-4-methyl-2,5,7-tris(3-methyl-2-buten-1-yl)-3a-(2-methyl-1-oxopropyl)-4-(4-methyl-3-penten-1-yl)-2,7-methanobenzofuran-3,8(2H)-dione

CAS Registry Number®

59014-02-7
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CAS Name

(2R,3aR,4R,5S,7R,7aS)-Hexahydro-7a-hydroxy-4-methyl-2,5,7-tris(3-methyl-2-buten-1-yl)-3a-(2-methyl-1-oxopropyl)-4-(4-methyl-3-penten-1-yl)-2,7-methanobenzofuran-3,8(2H)-dione

Molecular Formula

C35H52O5

Molecular Mass

552.78

Cite this Page

(2R,3aR,4R,5S,7R,7aS)-Hexahydro-7a-hydroxy-4-methyl-2,5,7-tris(3-methyl-2-buten-1-yl)-3a-(2-methyl-1-oxopropyl)-4-(4-methyl-3-penten-1-yl)-2,7-methanobenzofuran-3,8(2H)-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=59014-02-7 (retrieved 2024-08-20) (CAS RN: 59014-02-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H52O5/c1-22(2)13-12-18-31(11)27(15-14-23(3)4)21-32(19-16-24(5)6)29(37)33(20-17-25(7)8)30(38)34(31,28(36)26(9)10)35(32,39)40-33/h13-14,16-17,26-27,39H,12,15,18-21H2,1-11H3/t27-,31+,32+,33+,34+,35-/m0/s1

InChIKey

InChIKey=IFUPNXPBDBNEAO-GAONCQJMSA-N

SMILES

C(C(C)C)(=O)[C@@]12[C@]3(O)[C@@](CC=C(C)C)(C(=O)[C@](CC=C(C)C)(C1=O)O3)C[C@H](CC=C(C)C)[C@]2(CCC=C(C)C)C

Canonical SMILES

O=C(C(C)C)C12C(=O)C3(OC1(O)C(C3=O)(CC=C(C)C)CC(CC=C(C)C)C2(C)CCC=C(C)C)CC=C(C)C

Other Names for this Substance

  • 2,7-Methanobenzofuran-3,8(2H)-dione, hexahydro-7a-hydroxy-4-methyl-2,5,7-tris(3-methyl-2-buten-1-yl)-3a-(2-methyl-1-oxopropyl)-4-(4-methyl-3-penten-1-yl)-, (2R,3aR,4R,5S,7R,7aS)-
  • 2,7-Methanobenzofuran-3,8(2H)-dione, hexahydro-7a-hydroxy-4-methyl-2,5,7-tris(3-methyl-2-butenyl)-3a-(2-methyl-1-oxopropyl)-4-(4-methyl-3-pentenyl)-, [2R-(2α,3aβ,4α,5β,7α,7aβ)]-
  • 2,7-Methanobenzofuran-3,8(2H)-dione, hexahydro-7a-hydroxy-4-methyl-2,5,7-tris(3-methyl-2-butenyl)-3a-(2-methyl-1-oxopropyl)-4-(4-methyl-3-pentenyl)-, (2R,3aR,4R,5S,7R,7aS)-
  • (2R,3aR,4R,5S,7R,7aS)-Hexahydro-7a-hydroxy-4-methyl-2,5,7-tris(3-methyl-2-buten-1-yl)-3a-(2-methyl-1-oxopropyl)-4-(4-methyl-3-penten-1-yl)-2,7-methanobenzofuran-3,8(2H)-dione
  • 8-Hydroxyhyperforin 8,1-hemiacetal

Deleted or Replaced CAS Registry Numbers

57688-97-8