| SpectraBase Spectrum ID |
JxznBSBfXa8 |
| Name |
.beta.,.psi.-Carotene, 2'-(acetyloxy)-3',4'-didehydro-1',2'-dihydro-1'-hydroxy-, (2'S)- |
| Alternate Name(s) |
(2'S,3'E)-1'-hydroxy-3',4'-didehydro-1',2'-dihydro-beta,psi-caroten-2'-yl acetate
(all-E,2'S)-2'-acetoxy-3',4'-didehydro-1',2'-dihydro-.beta.,.psi.-carotin-1'-ol |
| CAS Registry Number |
92466-44-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C42H58O3 |
| InChI |
InChI=1S/C42H58O3/c1-32(20-14-22-34(3)23-16-25-36(5)28-30-40(42(10,11)44)45-38(7)43)18-12-13-19-33(2)21-15-24-35(4)27-29-39-37(6)26-17-31-41(39,8)9/h12-16,18-25,27-30,40,44H,17,26,31H2,1-11H3/b13-12+,20-14+,21-15+,23-16+,29-27+,30-28+,32-18+,33-19+,34-22+,35-24+,36-25+/t40-/m0/s1 |
| InChIKey |
LCFRBNYUSKIDRO-QCYAFRNJSA-N |
| Molecular Weight |
610.923 g/mol |
| SMILES |
OC([C@](\C=C\C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C1=C(CCCC1(C)C)C)C)C)C)C)C)(OC(=O)C)[H])(C)C |
| SPLASH |
splash10-0aou-8900000000-7bb81395b29a144637f6 |
| Source of Spectrum |
H-67-1289-0 |
| Wiley ID |
1410957 |
