| SpectraBase Spectrum ID |
4Szh7iwliMh |
| Name |
2-Naphthalenol, decahydro-5-(1H-indol-3-ylmethyl)-1,4a-dimethyl-6-methylene-1-(4-methyl-3-pentenyl)-, acetate (ester), [1S-(1.alpha.,2.beta.,4a.beta.,5.beta.,8a.alpha.)]- |
| Alternate Name(s) |
(1S,2S,4aR,5S,8aR)-5-(1H-indol-3-ylmethyl)-1,4a-dimethyl-6-methylene-1-(4-methyl-3-pentenyl)decahydro-2-naphthalenyl acetate
Emindole sa monoacetate |
| CAS Registry Number |
117141-73-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H41NO2 |
| InChI |
InChI=1S/C30H41NO2/c1-20(2)10-9-16-30(6)27-14-13-21(3)25(29(27,5)17-15-28(30)33-22(4)32)18-23-19-31-26-12-8-7-11-24(23)26/h7-8,10-12,19,25,27-28,31H,3,9,13-18H2,1-2,4-6H3/t25-,27+,28-,29+,30-/m0/s1 |
| InChIKey |
OJBRBRWHDYNBPR-PUNKFERVSA-N |
| Molecular Weight |
447.663 g/mol |
| SMILES |
[nH]1c2c(c(c1)C[C@@]1([C@@]3([C@]([C@@](CCC=C(C)C)(C)[C@](CC3)(OC(=O)C)[H])(CCC1=C)[H])C)[H])cccc2 |
| SPLASH |
splash10-001i-0900100000-ea36255a7e78f95d1ed0 |
| Source of Spectrum |
KC-1988-2159-5 |
| Wiley ID |
1387001 |
![2-Naphthalenol, decahydro-5-(1H-indol-3-ylmethyl)-1,4a-dimethyl-6-methylene-1-(4-methyl-3-pentenyl)-, acetate (ester), [1S-(1.alpha.,2.beta.,4a.beta.,5.beta.,8a.alpha.)]-](/api/spectrum/4Szh7iwliMh/structure.png?h=300&w=458 "2-Naphthalenol, decahydro-5-(1H-indol-3-ylmethyl)-1,4a-dimethyl-6-methylene-1-(4-methyl-3-pentenyl)-, acetate (ester), [1S-(1.alpha.,2.beta.,4a.beta.,5.beta.,8a.alpha.)]-")
