| SpectraBase Spectrum ID |
BNEQ7f3o8E4 |
| Name |
Casbene-diterpenoid - diacetate |
| Alternate Name(s) |
1,4-Diacetoxy-5-oxo-2,6,12,15,15-pentamethyl-bicyclo[12.1.o]pentadeca-2,6,12-triene |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H34O5 |
| InChI |
InChI=1S/C24H34O5/c1-14-8-10-19-20(24(19,6)7)12-16(3)23(27)22(29-18(5)26)13-15(2)21(11-9-14)28-17(4)25/h9,12-13,19-22H,8,10-11H2,1-7H3/b14-9+,15-13+,16-12-/t19?,20?,21-,22+/m1/s1 |
| InChIKey |
MVGRXVLPXCNYQV-PKRCVJDCSA-N |
| Molecular Weight |
402.531 g/mol |
| SMILES |
C12C(C)(C)C2CC\C(=C\C[C@](\C(=C\[C@@](C(\C(=C/1)C)=O)(OC(=O)C)[H])C)(OC(=O)C)[H])C |
| SPLASH |
splash10-0a4r-0910000000-e3369ba642b5e9000b26 |
| Source of Spectrum |
X2-53-1570-2 |
| Wiley ID |
1603816 |
