| SpectraBase Spectrum ID |
IOqqVl2f7Re |
| Name |
13-Hydroxy-13,14-seco-totaran-14-one |
| Alternate Name(s) |
1-[(1S,2R,4aS,8aR)-1-(3-hydroxypropyl)-5,5,8a-trimethyldecahydro-2-naphthalenyl]-2-methyl-1-propanone |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H36O2 |
| InChI |
InChI=1S/C20H36O2/c1-14(2)18(22)15-9-10-17-19(3,4)11-7-12-20(17,5)16(15)8-6-13-21/h14-17,21H,6-13H2,1-5H3/t15-,16+,17+,20-/m1/s1 |
| InChIKey |
XAEUNJOEFLBPTI-NHAYFPRASA-N |
| Molecular Weight |
308.506 g/mol |
| SMILES |
OCCC[C@@]1([C@@]2([C@](C(CCC2)(C)C)(CC[C@]1(C(C(C)C)=O)[H])[H])C)[H] |
| SPLASH |
splash10-014r-9410000000-2718427d2615374d5807 |
| Source of Spectrum |
KC-61-989-18 |
| Wiley ID |
1627322 |
