| SpectraBase Spectrum ID |
2mnoHuz1Inw |
| Name |
(3S,5R,6R,3'S)-3'-O-Acetyl-3,6-epoxy-5,6-dihydro-.beta.,.beta.-carotene-5,3'-diol |
| Alternate Name(s) |
(1R)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,2R,4S)-2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]hept-1-yl]-3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaenyl}-3,5,5-trimethyl-3-cyclohexen-1-yl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C42H58O4 |
| InChI |
InChI=1S/C42H58O4/c1-30(18-14-20-32(3)22-23-38-34(5)26-36(45-35(6)43)27-39(38,7)8)16-12-13-17-31(2)19-15-21-33(4)24-25-42-40(9,10)28-37(46-42)29-41(42,11)44/h12-25,36-37,44H,26-29H2,1-11H3/b13-12+,18-14+,19-15+,23-22+,25-24+,30-16+,31-17+,32-20+,33-21+/t36-,37+,41-,42-/m1/s1 |
| InChIKey |
GQPCLAKJHAXYMR-YMCVIWRJSA-N |
| Molecular Weight |
626.922 g/mol |
| SMILES |
O[C@]1([C@]2(C(C[C@](O2)(C1)[H])(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C1=C(C[C@](CC1(C)C)(OC(=O)C)[H])C)C)C)C)C)C |
| SPLASH |
splash10-004i-0330019000-cc58eaefbc56be8fe6cf |
| Source of Spectrum |
H-76-955-1 |
| Wiley ID |
1411921 |
