| SpectraBase Spectrum ID |
DDpORa1louc |
| Name |
9-Deoxy-15-hydroxycotylenol |
| Alternate Name(s) |
(1R,3aS,4R,5S,9aR)-7-(1-hydroxy-1-methylethyl)-1-(methoxymethyl)-4,9a-dimethyl-1,2,3,3a,4,5,6,8,9,9a-decahydrodicyclopenta[a,d]cyclooctene-1,5-diol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H34O4 |
| InChI |
InChI=1S/C21H34O4/c1-13-14-6-9-21(24,12-25-5)17(14)11-20(4)8-7-15(19(2,3)23)16(20)10-18(13)22/h11,13-14,18,22-24H,6-10,12H2,1-5H3/b17-11+/t13-,14+,18+,20-,21+/m1/s1 |
| InChIKey |
QWVVGZVTEPAECL-SAROWYBESA-N |
| Molecular Weight |
350.499 g/mol |
| SMILES |
O[C@]1(CC=2[C@@](\C=C\3[C@@](CC[C@]3([C@]1(C)[H])[H])(O)COC)(CCC2C(O)(C)C)C)[H] |
| SPLASH |
splash10-014i-0091000000-8a3d2f726fdf03ce079f |
| Source of Spectrum |
AJ-71-1179-4 |
| Wiley ID |
774272 |
