| SpectraBase Spectrum ID |
GXTohDS1d2d |
| Name |
(-)-3-Acetoxycladiellin-11-ene-6,7-diol |
| Appearance |
Colorless crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.256274254 u |
| Formula |
C22H36O5 |
| InChI |
InChI=1S/C22H36O5/c1-12(2)15-8-7-13(3)18-16-11-21(5,25)17(24)9-10-22(6,27-14(4)23)20(26-16)19(15)18/h7,12,15-20,24-25H,8-11H2,1-6H3/t15-,16-,17+,18-,19-,20-,21+,22-/m1/s1 |
| InChIKey |
FHFNXKMKLQUKQY-UTEQDJHMSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jo302542h |
| Molecular Weight |
380.525 g/mol |
| Optical Rotation |
[a]D28 = 0 (c = 0.30, CHCl3) |
| Quality |
87 |
| Reported Formula |
C22H36O5 |
| SMILES |
O[C@]1(CC[C@@]([C@]2([C@@]3([C@](CC=C([C@@]3([C@@](C[C@]1(C)O)(O2)[H])[H])C)(C(C)C)[H])[H])[H])(C)OC(=O)C)[H] |
| SPLASH |
splash10-0f6x-7009000000-28e56a6078907680adb4 |
| Source of Spectrum |
JOC-78-692-10 (DOI: 10.1021/jo302542h) |
| Thin-Layer Chromatography |
0.23 (petroleum ether/ethyl acetate, 1:2) |
| Wiley ID |
1911726 |
