| SpectraBase Spectrum ID |
3FyhFy1NsLb |
| Name |
(1R,2S,4S)-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,6,6-trimethylcyclohexane-1,2,4-triol |
| Alternate Name(s) |
(1R,2S,4S)-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethyl-cyclohex-2-en-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,6,6-trimethyl-cyclohexane-1,2,4-triol
(1R,2S,4S)-2,6,6-trimethyl-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R,4R)-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexane-1,2,4-triol |
| CAS Registry Number |
96243-07-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C40H58O4 |
| InChI |
InChI=1S/C40H58O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-25,34-36,41-44H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35-,36-,39-,40+/m0/s1 |
| InChIKey |
FJRIGPREPNIRNO-VQFXDPJJSA-N |
| Molecular Weight |
602.900 g/mol |
| SMILES |
O[C@@]1(C[C@@]([C@](C(C1)(C)C)(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\[C@]1(C(=C[C@@](CC1(C)C)(O)[H])C)[H])C)C)C)C)O)(O)C)[H] |
| SPLASH |
splash10-0006-9220010000-1513082caf115881ecbc |
| Source of Spectrum |
H-67-2055-0 |
| Wiley ID |
1410357 |
