| SpectraBase Spectrum ID |
B4BJdaiYTfk |
| Name |
16-O-Oleoyl neocryptotanshinone |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C37H54O5 |
| InChI |
InChI=1S/C37H54O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-31(38)42-26-27(2)32-34(39)29-23-24-30-28(21-20-25-37(30,3)4)33(29)36(41)35(32)40/h12-13,23-24,27,40H,5-11,14-22,25-26H2,1-4H3/b13-12- |
| InChIKey |
ZDZOJQPZBICBMD-SEYXRHQNSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np000345v |
| Molecular Weight |
578.834 g/mol |
| Optical Rotation |
[a]D25 = +14.3 (c = 0.35, CHCl3) |
| Reported Formula |
C37H54O5 |
| SMILES |
OC1=C(C(c2c(c3c(cc2)C(CCC3)(C)C)C1=O)=O)C(C)COC(CCCCCCC\C=C/CCCCCCCC)=O |
| SPLASH |
splash10-0frt-1190000000-db36bfec7c79d362f8a3 |
| Source of Spectrum |
G4-64-649-1 |
| Thin-Layer Chromatography |
Rf = 0.20 |
| Wiley ID |
1883121 |
