| SpectraBase Spectrum ID |
4pK3Vsnou5c |
| Name |
1.alpha.,5.alpha.,8.alpha.-Trihydroxy-13E-labden-12-one |
| Alternate Name(s) |
(3E)-1-[(1R,2R,4aR,8S,8aS)-2,4a,8-trihydroxy-2,5,5,8a-tetramethyldecahydro-1-naphthalenyl]-3-methyl-3-penten-2-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H34O4 |
| InChI |
InChI=1S/C20H34O4/c1-7-13(2)14(21)12-15-18(5,23)10-11-20(24)17(3,4)9-8-16(22)19(15,20)6/h7,15-16,22-24H,8-12H2,1-6H3/b13-7+/t15-,16-,18+,19-,20+/m0/s1 |
| InChIKey |
WPMWSYYVAMDDNR-URNWNBMOSA-N |
| Molecular Weight |
338.488 g/mol |
| SMILES |
O[C@@]1([C@]2([C@@](CC[C@]([C@@]2(CC(\C(=C\C)C)=O)[H])(O)C)(C(CC1)(C)C)O)C)[H] |
| SPLASH |
splash10-0ff0-9686000000-7071c011569f23b05470 |
| Source of Spectrum |
AT-38-1978-2 |
| Wiley ID |
853794 |
