(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(2S,6S,7aR)-2,4,5,6,7,7a-Hexahydro-6-hydroxy-4,4,7a-trimethyl-2-benzofuranyl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13-trimethyl-2,4,6,8,10,12,14,16-octadecaoctaen-1-one

CAS Registry Number®

104012-89-7
No image available.

CAS Name

(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(2S,6S,7aR)-2,4,5,6,7,7a-Hexahydro-6-hydroxy-4,4,7a-trimethyl-2-benzofuranyl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13-trimethyl-2,4,6,8,10,12,14,16-octadecaoctaen-1-one

Molecular Formula

C40H56O4

Molecular Mass

600.87

Cite this Page

(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(2S,6S,7aR)-2,4,5,6,7,7a-Hexahydro-6-hydroxy-4,4,7a-trimethyl-2-benzofuranyl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13-trimethyl-2,4,6,8,10,12,14,16-octadecaoctaen-1-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=104012-89-7 (retrieved 2024-09-19) (CAS RN: 104012-89-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H56O4/c1-28(17-13-18-30(3)21-22-36(43)39(9)26-33(42)25-38(39,7)8)15-11-12-16-29(2)19-14-20-31(4)34-23-35-37(5,6)24-32(41)27-40(35,10)44-34/h11-23,32-34,41-42H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t32-,33-,34-,39-,40+/m0/s1

InChIKey

InChIKey=WPXHAEKYWJBTNX-TYRVLMSXSA-N

SMILES

C[C@@]12C(=C[C@@H](\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C(=O)[C@]3(C)C[C@@H](O)CC3(C)C)/C)/C)\C)\C)O1)C(C)(C)C[C@H](O)C2

Canonical SMILES

O=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C)C1OC2(C(=C1)C(C)(C)CC(O)C2)C)C)C)C)C3(C)CC(O)CC3(C)C

Other Names for this Substance

  • 2,4,6,8,10,12,14,16-Octadecaoctaen-1-one, 17-[(2S,6S,7aR)-2,4,5,6,7,7a-hexahydro-6-hydroxy-4,4,7a-trimethyl-2-benzofuranyl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13-trimethyl-, (2E,4E,6E,8E,10E,12E,14E,16E)-
  • β,κ-Caroten-6′-one, 5,8-epoxy-5,8-dihydro-3,3′-dihydroxy-, (3S,3′S,5R,5′R,8S)-
  • (2E,4E,6E,8E,10E,12E,14E,16E)-17-[(2S,6S,7aR)-2,4,5,6,7,7a-Hexahydro-6-hydroxy-4,4,7a-trimethyl-2-benzofuranyl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13-trimethyl-2,4,6,8,10,12,14,16-octadecaoctaen-1-one
  • Capsochrome
  • (5R,8S)-Capsochrome