| SpectraBase Spectrum ID |
1l0eKaWEKGw |
| Name |
Methyl 3.beta.,6.beta.-epoxy-5.beta.-hydroxy-4,5-dihydro-8'-apo-.epsilon.-caroten-8'-oate |
| Alternate Name(s) |
Ditaxin |
| Appearance |
Orange, amorphous powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H42O4 |
| InChI |
InChI=1S/C31H42O4/c1-23(13-9-10-14-24(2)17-12-18-26(4)28(32)34-8)15-11-16-25(3)19-20-31-29(5,6)21-27(35-31)22-30(31,7)33/h9-20,27,33H,21-22H2,1-8H3/b10-9+,15-11+,17-12+,20-19+,23-13+,24-14+,25-16+,26-18+/t27-,30-,31-/m0/s1 |
| InChIKey |
LTYWXDKNOZKXJR-WVZBASIFSA-N |
| Instrument Name |
JEOL JMS-AX 505 HA |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np050489f |
| Molecular Weight |
478.673 g/mol |
| Optical Rotation |
[a]D23 = -117.0 (c = 0.02, CHCl3) |
| Reported Formula |
C31H42O4 |
| SMILES |
O[C@@]1([C@@]2(C(C[C@@](C1)(O2)[H])(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C/(C)\C=C\C=C\(C(OC)=O)C)C)C)C |
| SPLASH |
splash10-0006-9530000000-298d5fe9602a6d1a56f9 |
| Source of Spectrum |
G4-69-1143-2 |
| Thin-Layer Chromatography |
Rf = 0.52 (Et2O/petroleum ether, 1:1) |
| Wiley ID |
1874271 |
