| SpectraBase Spectrum ID |
KCFrKy6vEUJ |
| Name |
(1S,2S,4S)-2,6,6-trimethyl-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1S,2S,4S)-1,2,4-trihydroxy-2,6,6-trimethyl-cyclohexyl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexane-1,2,4-triol |
| CAS Registry Number |
96790-86-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C40H60O6 |
| InChI |
InChI=1S/C40H60O6/c1-29(17-13-19-31(3)21-23-39(45)35(5,6)25-33(41)27-37(39,9)43)15-11-12-16-30(2)18-14-20-32(4)22-24-40(46)36(7,8)26-34(42)28-38(40,10)44/h11-24,33-34,41-46H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37-,38-,39-,40-/m0/s1 |
| InChIKey |
QOXCNWZDKKXAOL-JFTWVFJJSA-N |
| Molecular Weight |
636.914 g/mol |
| SMILES |
O[C@@]1(C[C@@]([C@](\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\[C@]2([C@](C[C@](CC2(C)C)(O)[H])(O)C)O)C)C)C)C)(C(C1)(C)C)O)(O)C)[H] |
| SPLASH |
splash10-0006-9110000000-b798aaafcf4c7262a2d7 |
| Source of Spectrum |
H-67-2054-0 |
| Synonyms |
(1S,2S,4S)-2,6,6-trimethyl-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1S,4S,6S)-2,2,6-trimethyl-1,4,6-tris(oxidanyl)cyclohexyl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexane-1,2,4-triol |
| Wiley ID |
1412414 |
![(1S,2S,4S)-2,6,6-trimethyl-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1S,2S,4S)-1,2,4-trihydroxy-2,6,6-trimethyl-cyclohexyl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexane-1,2,4-triol](/api/spectrum/KCFrKy6vEUJ/structure.png?h=300&w=458 "(1S,2S,4S)-2,6,6-trimethyl-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1S,2S,4S)-1,2,4-trihydroxy-2,6,6-trimethyl-cyclohexyl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexane-1,2,4-triol")
