| SpectraBase Spectrum ID |
B1IEhGK4chU |
| Name |
(9S,11R,13S)-9,13-epoxy-17-nor-8,9-secolabdane-8,11-ol |
| Alternate Name(s) |
(1S)-1,4-anhydro-3,5-dideoxy-4-ethyl-1-[(1S)-2-(3-hydroxypropyl)-1,3,3-trimethylcyclohexyl]-D-erythro-pentitol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H36O3 |
| InChI |
InChI=1S/C19H36O3/c1-6-18(4)13-14(21)16(22-18)19(5)11-8-10-17(2,3)15(19)9-7-12-20/h14-16,20-21H,6-13H2,1-5H3/t14-,15?,16-,18+,19+/m1/s1 |
| InChIKey |
NGMFTULYEMRQGU-PHSNJAPPSA-N |
| Molecular Weight |
312.494 g/mol |
| SMILES |
O[C@@]1(C[C@@](O[C@]1([C@@]1(C(CCCO)C(CCC1)(C)C)C)[H])(CC)C)[H] |
| SPLASH |
splash10-0006-0091000000-9dbc2e825c435d9dd040 |
| Source of Spectrum |
B-44-433-0 |
| Wiley ID |
1313651 |
