| SpectraBase Spectrum ID |
1PAq5ALogpf |
| Name |
shiromodiol-6-O-acetate-8-O-angelate |
| CAS Registry Number |
98941-64-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H34O5 |
| InChI |
InChI=1S/C22H34O5/c1-8-15(5)21(24)26-17-12-14(4)10-9-11-22(7)20(27-22)19(25-16(6)23)18(17)13(2)3/h8,10,13,17-20H,9,11-12H2,1-7H3/b14-10+,15-8+/t17?,18-,19?,20+,22-/m1/s1 |
| InChIKey |
CCQQLNBOUQGCJN-VFNKYANRSA-N |
| Molecular Weight |
378.509 g/mol |
| SMILES |
[C@@]12(O[C@@]2(CC\C=C\(CC([C@](C1OC(=O)C)(C(C)C)[H])OC(\C(=C\C)C)=O)C)C)[H] |
| SPLASH |
splash10-001i-9000000000-e741ae19c8b4662b726a |
| Source of Spectrum |
KC-1986-1370-4 |
| Synonyms |
cycloshiromodiol-6-O-acetate-8-O-angelate
(1S,3R,10R)-2-(acetyloxy)-3-isopropyl-6,10-dimethyl-11-oxabicyclo[8.1.0]undec-6-en-4-yl (2E)-2-methyl-2-butenoate |
| Wiley ID |
1358881 |
