| SpectraBase Spectrum ID |
K9kR5xG5Vuv |
| Name |
7alpha-Limonol acetate |
| Alternate Name(s) |
(4aS,6aR,8R,8aS,8bR,9aS,12R,12aS,14aR,14bR)-12-(furan-3-yl)-6,6,8a,12a-tetramethyl-3,10-dioxotetradecahydro-1H,3H-oxireno[2,3-d]pyrano[4',3':3,3a]isobenzofuro[5,4-f]isochromen-8-yl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H34O9 |
| InChI |
InChI=1S/C28H34O9/c1-14(29)34-18-10-17-24(2,3)36-19-11-20(30)33-13-27(17,19)16-6-8-25(4)21(15-7-9-32-12-15)35-23(31)22-28(25,37-22)26(16,18)5/h7,9,12,16-19,21-22H,6,8,10-11,13H2,1-5H3/t16-,17-,18+,19-,21+,22+,25-,26-,27+,28+/m0/s1 |
| InChIKey |
WQDRZTIUAGZBQW-AATXCISZSA-N |
| Literature Reference DOI |
10.1002/pca.790 |
| Molecular Weight |
514.571 g/mol |
| SMILES |
CC1(O[C@@]2([C@@]3([C@@]4([C@]([C@@]56[C@@](CC4)([C@](OC([C@]6(O5)[H])=O)(c4cocc4)[H])C)([C@@](C[C@@]13[H])(OC(C)=O)[H])C)[H])COC(C2)=O)[H])C |
| SPLASH |
splash10-01qa-5309000000-c8f912f0a6d271255f76 |
| Source of Spectrum |
PA-15-374-11 |
| Wiley ID |
1789457 |
