| SpectraBase Spectrum ID |
H40hHdPUB1x |
| Name |
(1S,2S)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(3S,4S)-2,6,6-trimethyl-3,4-bis(oxidanyl)cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-ene-1,2-diol |
| Alternate Name(s) |
(1S,2S)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(3S,4S)-3,4-dihydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-ene-1,2-diol
(1S,2S)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(3S,4S)-3,4-dihydroxy-2,6,6-trimethyl-cyclohexen-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-3-ene-1,2-diol |
| CAS Registry Number |
130856-69-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C40H56O4 |
| InChI |
InChI=1S/C40H56O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-38,41-44H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-,37-,38-/m0/s1 |
| InChIKey |
BHCRLQHBUDRLQM-AETXEOGPSA-N |
| Molecular Weight |
600.884 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=2C(C[C@@]([C@](C2C)(O)[H])(O)[H])(C)C)C)C)C)C)C(C[C@@]1(O)[H])(C)C)C)[H] |
| SPLASH |
splash10-1004-2900013000-7aaf38c9b1139e169b63 |
| Source of Spectrum |
H-73-1020-50 |
| Wiley ID |
1410190 |
![(1S,2S)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(3S,4S)-2,6,6-trimethyl-3,4-bis(oxidanyl)cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-ene-1,2-diol](/api/spectrum/H40hHdPUB1x/structure.png?h=300&w=458 "(1S,2S)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(3S,4S)-2,6,6-trimethyl-3,4-bis(oxidanyl)cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-ene-1,2-diol")
