| SpectraBase Spectrum ID |
3x8vcJa71M |
| Name |
14-angeloyloxy-2.alpha.,3.alpha.-epoxy-1-oxo-O-methylcacalol |
| Appearance |
Colorless crystals |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H22O6 |
| InChI |
InChI=1S/C21H22O6/c1-6-9(2)21(23)26-8-12-13-10(3)7-25-19(13)18(24-5)15-14(12)11(4)17-20(27-17)16(15)22/h6-7,11,17,20H,8H2,1-5H3/b9-6-/t11-,17+,20-/m1/s1 |
| InChIKey |
FBZSDKQMXBAROQ-HHTLWVCYSA-N |
| Instrument Name |
HP 5988A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np1004505 |
| Molecular Weight |
370.401 g/mol |
| Optical Rotation |
[a]D20 = -120 (c = 1.00, CHCl3) |
| Reported Formula |
C21H22O6 |
| SMILES |
[C@@]12(C(c3c([C@@](C)([C@@]2(O1)[H])[H])c(c1c(c3OC)occ1C)COC(=O)\C(=C/C)C)=O)[H] |
| SPLASH |
splash10-05fu-9170000000-1a006f8e3516e6075832 |
| Source of Spectrum |
G4-73-1956-Compound 4 |
| Wiley ID |
1848893 |
