| SpectraBase Spectrum ID |
9PgQ4msSK2J |
| Name |
Methyl 15 - hydroperoxy - abietate |
| Alternate Name(s) |
Methyl (4beta)-15-hydroperoxyabieta-7,13-dien-18-oate |
| CAS Registry Number |
113903-97-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H32O4 |
| InChI |
InChI=1S/C21H32O4/c1-19(2,25-23)15-8-9-16-14(13-15)7-10-17-20(16,3)11-6-12-21(17,4)18(22)24-5/h7,13,16-17,23H,6,8-12H2,1-5H3/t16-,17+,20+,21+/m0/s1 |
| InChIKey |
BCXBZLGOYRHGAJ-XWDORNJCSA-N |
| Molecular Weight |
348.483 g/mol |
| SMILES |
OOC(C=1CC[C@]2(C(C1)=CC[C@@]1([C@@]2(CCC[C@]1(C(=O)OC)C)C)[H])[H])(C)C |
| SPLASH |
splash10-0aor-0097000000-bf861b85de26d4489fe7 |
| Source of Spectrum |
Va-0-0-0 |
| Wiley ID |
740053 |
