| SpectraBase Spectrum ID |
B3cZ3sLTisL |
| Name |
3'-Acetoxy-7'-chloro-5,8-epoxy-5,8-dihydro-.beta.,.beta.-carotene-3,8-diol |
| Alternate Name(s) |
4-[(1Z,3E,5E,7E,9E,11E,13E,15E)-1-chloro-16-(2,6-dihydroxy-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-yl)-3,7,12-trimethyl-1,3,5,7,9,11,13,15-heptadecaoctaenyl]-3,5,5-trimethyl-3-cyclohexen-1-yl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C42H57ClO5 |
| InChI |
InChI=1S/C42H57ClO5/c1-28(18-14-20-30(3)22-36(43)38-31(4)23-35(47-33(6)44)26-40(38,9)10)16-12-13-17-29(2)19-15-21-32(5)42(46)27-37-39(7,8)24-34(45)25-41(37,11)48-42/h12-22,27,34-35,45-46H,23-26H2,1-11H3/b13-12+,18-14+,19-15+,28-16+,29-17+,30-20+,32-21+,36-22- |
| InChIKey |
HXJGDIYFOXZDQK-VDFIMIJQSA-N |
| Molecular Weight |
677.366 g/mol |
| SMILES |
OC1(OC2(C(C(CC(C2)O)(C)C)=C1)C)\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\(C1=C(CC(CC1(C)C)OC(=O)C)C)Cl)C)C)C)C |
| SPLASH |
splash10-00e9-0780069000-9aee192eeaf30cbb17fd |
| Source of Spectrum |
SB-48-74-5 |
| Wiley ID |
1414192 |
