| SpectraBase Spectrum ID |
Ddm5di9VKe0 |
| Name |
7.alpha.-Acetoxy-18-chloro-15,16-epoxy-4,6-dioxy-4,5-seco-neocleroda-5(19),13(16),14-triene - 20,12-hemiacetal |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
438.144530902 u |
| Formula |
C22H27ClO7 |
| InChI |
InChI=1S/C22H27ClO7/c1-12-17(6-4-5-16(25)10-23)22(13(2)20(19(12)26)29-14(3)24)9-18(30-21(22)27)15-7-8-28-11-15/h7-8,11,13,17-18,20-21,27H,1,4-6,9-10H2,2-3H3/t13-,17+,18+,20+,21?,22-/m1/s1 |
| InChIKey |
YBZZNOBDRSMFKX-CLOHSTHJSA-N |
| Molecular Weight |
438.904 g/mol |
| SMILES |
[C@@]12([C@](C(=C)C([C@]([C@]2(C)[H])(OC(=O)C)[H])=O)(CCCC(=O)CCl)[H])C(O[C@@](C1)(C1=COC=C1)[H])O |
