| SpectraBase Spectrum ID |
5Mz6XAJu5XB |
| Name |
(1R*,4R,5R,8S,12R,14R)-4-Hydroxy-10-keto-1-methoxydolast-9-(17)ene |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H34O3 |
| InChI |
InChI=1S/C21H34O3/c1-13(2)18-14-7-9-20(4)16(12-19(14,3)11-15(18)22)21(5,24-6)10-8-17(20)23/h14,16-17,23H,7-12H2,1-6H3/t14-,16-,17-,19+,20-,21?/m1/s1 |
| InChIKey |
VXDHRMRIRXNMMT-MYSDQCPKSA-N |
| Instrument Name |
Agilent 5977A MSD |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.jnatprod.1c00199 |
| Molecular Weight |
334.500 g/mol |
| Optical Rotation |
[a]D = + 20 (c = 0.05, CHCl3) |
| SMILES |
O[C@@]1(CCC([C@]2([C@]1(CC[C@]1([C@](CC(C1=C(C)C)=O)(C)C2)[H])C)[H])(C)OC)[H] |
| SPLASH |
splash10-000i-9301000000-87cc65fad91c7d9ad6e3 |
| Source of Spectrum |
G4-84-1381-18 |
| Wiley ID |
1884148 |
