(2S,5R,5aS,7R,11S)-3,4,5,5a-Tetrahydro-2-(1-hydroxy-1-methylethyl)-5-methyl-7,9,11-tris(3-methyl-2-buten-1-yl)-5a-(2-methyl-1-oxopropyl)-5,7-ethano-1-benzoxepin-6,8(2H,7H)-dione

CAS Registry Number®

262857-89-6

CAS Name

(2S,5R,5aS,7R,11S)-3,4,5,5a-Tetrahydro-2-(1-hydroxy-1-methylethyl)-5-methyl-7,9,11-tris(3-methyl-2-buten-1-yl)-5a-(2-methyl-1-oxopropyl)-5,7-ethano-1-benzoxepin-6,8(2H,7H)-dione

Molecular Formula

C35H52O5

Molecular Mass

552.78

Cite this Page

(2S,5R,5aS,7R,11S)-3,4,5,5a-Tetrahydro-2-(1-hydroxy-1-methylethyl)-5-methyl-7,9,11-tris(3-methyl-2-buten-1-yl)-5a-(2-methyl-1-oxopropyl)-5,7-ethano-1-benzoxepin-6,8(2H,7H)-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=262857-89-6 (retrieved 2025-02-19) (CAS RN: 262857-89-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H52O5/c1-21(2)12-14-25-20-34(19-16-23(5)6)29(37)26(15-13-22(3)4)30-35(31(34)38,28(36)24(7)8)33(25,11)18-17-27(40-30)32(9,10)39/h12-13,16,24-25,27,39H,14-15,17-20H2,1-11H3/t25-,27-,33+,34+,35-/m0/s1

InChIKey

InChIKey=SUFKQAGGNFAGTD-UXLXDXPVSA-N

SMILES

C(C(C)C)(=O)[C@]12C3=C(CC=C(C)C)C(=O)[C@](CC=C(C)C)(C1=O)C[C@H](CC=C(C)C)[C@@]2(C)CC[C@@H](C(C)(C)O)O3

Canonical SMILES

O=C1C(=C2OC(CCC3(C)C(CC=C(C)C)CC1(C(=O)C23C(=O)C(C)C)CC=C(C)C)C(O)(C)C)CC=C(C)C

Other Names for this Substance

  • 5,7-Ethano-1-benzoxepin-6,8(2H,7H)-dione, 3,4,5,5a-tetrahydro-2-(1-hydroxy-1-methylethyl)-5-methyl-7,9,11-tris(3-methyl-2-buten-1-yl)-5a-(2-methyl-1-oxopropyl)-, (2S,5R,5aS,7R,11S)-
  • 5,7-Ethano-1-benzoxepin-6,8(2H,7H)-dione, 3,4,5,5a-tetrahydro-2-(1-hydroxy-1-methylethyl)-5-methyl-7,9,11-tris(3-methyl-2-butenyl)-5a-(2-methyl-1-oxopropyl)-, (2S,5R,5aS,7R,11S)-
  • (2S,5R,5aS,7R,11S)-3,4,5,5a-Tetrahydro-2-(1-hydroxy-1-methylethyl)-5-methyl-7,9,11-tris(3-methyl-2-buten-1-yl)-5a-(2-methyl-1-oxopropyl)-5,7-ethano-1-benzoxepin-6,8(2H,7H)-dione
  • Oxepahyperforin

CAS INSIGHTSTM
Lithium-ion battery