| SpectraBase Spectrum ID |
HxHhtEIdFtJ |
| Name |
Methyl 14-oxotrachyloban-19-oate |
| Alternate Name(s) |
Methyl (4S,5R,9S,10S)-5,9,13-trimethyl-15-oxopentacyclo[11.2.1.0(1,10).0(4,9).0(12,14)]hexadecane-5-carboxylate |
| CAS Registry Number |
72442-56-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H30O3 |
| InChI |
InChI=1S/C21H30O3/c1-18-7-5-8-19(2,17(23)24-4)13(18)6-9-21-11-20(3)12(10-14(18)21)15(20)16(21)22/h12-15H,5-11H2,1-4H3/t12?,13-,14-,15+,18+,19+,20-,21+/m0/s1 |
| InChIKey |
CNJLICHZIVBXSX-NFDKILSSSA-N |
| Molecular Weight |
330.468 g/mol |
| SMILES |
[C@]12([C@]3(C(=O)[C@]4(C2)[C@@]([C@]2([C@]([C@@](C(=O)OC)(C)CCC2)([H])CC4)C)([H])CC13)[H])C |
| SPLASH |
splash10-05fu-9321000000-bc7c38f7ddab2f324f70 |
| Source of Spectrum |
J-45-1863-0 |
| Wiley ID |
1328263 |
