| SpectraBase Spectrum ID |
BWrjb1kSmQ4 |
| Name |
10'-Apo-.beta.,.psi.-carotene-3,10'-diol, 5,6-epoxy-5,6-dihydro-, (3S,5R,6S)- |
| Alternate Name(s) |
7-Oxabicyclo[4.1.0]heptane, 10'-apo-.beta.,.psi.-carotene-3,10'-diol deriv.
(1'S,2'R,4'S,all E)-15-(1',2'-epoxy-4'-hydroxy-2',6',6'-trimethylcyclohexyl)-4,9,13-trimethylpentadeca 2,4,6,8,10,12,14-heptaenol
(1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E,13E)-15-hydroxy-3,7,12-trimethyl-1,3,5,7,9,11,13-pentadecaheptaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol |
| CAS Registry Number |
120963-63-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H38O3 |
| InChI |
InChI=1S/C27H38O3/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-27-25(4,5)19-24(29)20-26(27,6)30-27/h7-17,24,28-29H,18-20H2,1-6H3/b8-7+,13-9+,15-10+,17-16+,21-11+,22-12+,23-14+/t24-,26+,27-/m0/s1 |
| InChIKey |
GMQZSQMIENYQEB-PCQNESLESA-N |
| Molecular Weight |
410.598 g/mol |
| SMILES |
O[C@@]1(C[C@@]2([C@](\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\CO)C)C)C)(C(C1)(C)C)O2)C)[H] |
| SPLASH |
splash10-03dl-0006900000-0de5bdf567cb80085b80 |
| Source of Spectrum |
H-71-1994-12 |
| Wiley ID |
1373829 |
