(5Z)-5-[(2E,4E,6E,8E)-11-[(4R)-4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-2,9-dimethyl-2,4,6,8-undecatetraen-10-yn-1-ylidene]-3-[2-[(1R,2R,4S)-1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl]ethenyl]-2(5H)-furanone
CAS Registry Number®
120416-68-4
CAS Name
(5Z)-5-[(2E,4E,6E,8E)-11-[(4R)-4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-2,9-dimethyl-2,4,6,8-undecatetraen-10-yn-1-ylidene]-3-[2-[(1R,2R,4S)-1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl]ethenyl]-2(5H)-furanoneMolecular Formula
C37H48O6Molecular Mass
588.77Cite this Page
(5Z)-5-[(2E,4E,6E,8E)-11-[(4R)-4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-2,9-dimethyl-2,4,6,8-undecatetraen-10-yn-1-ylidene]-3-[2-[(1R,2R,4S)-1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl]ethenyl]-2(5H)-furanone. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=120416-68-4 (retrieved ) (CAS RN: 120416-68-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C37H48O6/c1-25(15-16-32-27(3)20-29(38)22-34(32,4)5)13-11-9-10-12-14-26(2)19-31-21-28(33(40)43-31)17-18-37(42)35(6,7)23-30(39)24-36(37,8)41/h9-14,17-19,21,29-30,38-39,41-42H,20,22-24H2,1-8H3/b11-9+,12-10+,18-17+,25-13+,26-14+,31-19-/t29-,30+,36-,37-/m1/s1
InChIKey
InChIKey=NKLWCOIOKXMOKC-OCOPTUJHSA-N
SMILES
C(=C/C1=CC(=C\C(=C\C=C\C=C\C=C(\C#CC=2C(C)(C)C[C@H](O)CC2C)/C)\C)\OC1=O)\[C@@]3(O)C(C)(C)C[C@H](O)C[C@@]3(C)O
Canonical SMILES
O=C1OC(C=C1C=CC2(O)C(O)(C)CC(O)CC2(C)C)=CC(=CC=CC=CC=C(C#CC3=C(C)CC(O)CC3(C)C)C)C
Other Names for this Substance
- 2(5H)-Furanone, 5-[(2E,4E,6E,8E)-11-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-2,9-dimethyl-2,4,6,8-undecatetraen-10-yn-1-ylidene]-3-[2-[(1R,2R,4S)-1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl]ethenyl]-, (5Z)-
- 2(5H)-Furanone, 5-[(2E,4E,6E,8E)-11-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-2,9-dimethyl-2,4,6,8-undecatetraen-10-ynylidene]-3-[2-[(1R,2R,4S)-1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl]ethenyl]-, (5Z)-
- (5Z)-5-[(2E,4E,6E,8E)-11-[(4R)-4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-2,9-dimethyl-2,4,6,8-undecatetraen-10-yn-1-ylidene]-3-[2-[(1R,2R,4S)-1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl]ethenyl]-2(5H)-furanone
- (3S,5R,6R,3′R)-Hydratopyrrhoxanthinol
- Hydratopyrrhoxanthinol
Deleted or Replaced CAS Registry Numbers
119269-61-3