| SpectraBase Spectrum ID |
CHQQof8AkI7 |
| Name |
(3S,5S,6R,3'S,5'R)-5,6-Epoxy-5,6-dihydro-3,3'-dihydroxy-.beta.,.kappa.-carotene-6'-one |
| Alternate Name(s) |
(3S,5S,6R,3'S,5'R)-5,6-Dihydro-3,6-epoxy-5,3'-dihydroxy-.beta.,.kappa.-carotene-6'-one
(2E,4E,6E,8E,10E,12E,14E,16E,18E)-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-19-[(1R,2S,4S)-2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]hept-1-yl]-4,8,13,17-tetramethyl-2,4,6,8,10,12,14,16,18-nonadecanonaen-1-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C40H56O4 |
| InChI |
InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,33-34,41,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t33-,34-,38-,39-,40+/m0/s1 |
| InChIKey |
TWTPPPZIWNGQCQ-SZDXZRDASA-N |
| Molecular Weight |
600.884 g/mol |
| SMILES |
O[C@@]1([C@]2(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C([C@@]3(C[C@](CC3(C)C)(O)[H])C)=O)C)C)C)C)O[C@](C1)(CC2(C)C)[H])C |
| SPLASH |
splash10-006x-9450000000-3b2e6461cd6b3d3abf6a |
| Source of Spectrum |
H-81-1248-6 |
| Wiley ID |
1410206 |
