| SpectraBase Spectrum ID |
Fau2sIFM1sM |
| Name |
sigmosceptrin-B ethyl ester |
| Alternate Name(s) |
Ethyl (2S,3E)-4-[(1S,2S,4aR,8aS)-1,2,4a-trimethyl-5-methylenedecahydro-1-naphthalenyl]-2-methyl-3-butenoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H34O2 |
| InChI |
InChI=1S/C21H34O2/c1-7-23-19(22)15(2)11-13-20(5)17(4)12-14-21(6)16(3)9-8-10-18(20)21/h11,13,15,17-18H,3,7-10,12,14H2,1-2,4-6H3/b13-11+/t15-,17-,18-,20+,21-/m0/s1 |
| InChIKey |
RZZYWMRESINMNS-NSUGAFSZSA-N |
| Molecular Weight |
318.501 g/mol |
| SMILES |
[C@]12([C@]([C@@](\C=C\[C@@](C(=O)OCC)(C)[H])(C)[C@](CC2)(C)[H])(CCCC1=C)[H])C |
| SPLASH |
splash10-00du-2911000000-b886b3a9d1f43401a8c7 |
| Source of Spectrum |
JA-50-1137-8 |
| Wiley ID |
1319021 |
