| SpectraBase Spectrum ID |
4alJix2P6Vk |
| Name |
methyl (4bS,8aR,10aS)-6-(hydroxymethyl)-4b,8,8,10a-tetramethyl-7-oxo-3,5,6,8a,9,10-hexahydrophenanthrene-2-carboxylate |
| Appearance |
Crystalline solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28O4 |
| InChI |
InChI=1S/C21H28O4/c1-19(2)15-8-9-20(3)10-13(18(24)25-5)6-7-16(20)21(15,4)11-14(12-22)17(19)23/h7,10,12,15,22H,6,8-9,11H2,1-5H3/b14-12-/t15-,20-,21-/m0/s1 |
| InChIKey |
PPTRNJOPWYGCDZ-IUJVZICASA-N |
| Instrument Name |
Micromass 70-VSE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm101445p |
| Molecular Weight |
344.451 g/mol |
| Reported Formula |
C21H28O4 |
| SMILES |
O\C=C/1C(C([C@]2([C@](C1)(C=1[C@@](CC2)(C=C(CC1)C(=O)OC)C)C)[H])(C)C)=O |
| SPLASH |
splash10-0002-0396000000-f15455ae37183aff1416 |
| Source of Spectrum |
AF-54-SM31-SM31-1 |
| Wiley ID |
1848798 |
