| SpectraBase Spectrum ID |
JyG4rG9b0Ti |
| Name |
1H-Benz[E]indene-7-acetic acid, 3A,6-diethyl-3-ethynyldodecahydro-3-hydroxy-, methyl ester, [3R-(3.alpha.,3A.alpha.,5A.beta.,6.beta.,7.A lpha.,9A.alpha.,9B.beta.)]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.250794952 u |
| Formula |
C22H34O3 |
| InChI |
InChI=1S/C22H34O3/c1-5-16-15(14-20(23)25-4)8-9-18-17(16)10-12-21(6-2)19(18)11-13-22(21,24)7-3/h3,15-19,24H,5-6,8-14H2,1-2,4H3/t15-,16-,17+,18+,19-,21-,22-/m0/s1 |
| InChIKey |
SWHUKQNQGRUXJK-KHOXPFJJSA-N |
| Molecular Weight |
346.511 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC[C@]([C@@]([C@]3(CC2)[H])(CC)[H])(CC(=O)OC)[H])[H])(CC[C@]1(C#C)O)[H])CC |
![1H-Benz[e]indene-7-acetic acid, 3a,6-diethyl-3-ethynyldodecahydro-3-hydroxy-, methyl ester, [3R-(3.alpha.,3a.alpha.,5a.beta.,6.beta.,7.a lpha.,9a.alpha.,9b.beta.)]-](/api/spectrum/JyG4rG9b0Ti/structure.png?h=300&w=458 "1H-Benz[e]indene-7-acetic acid, 3a,6-diethyl-3-ethynyldodecahydro-3-hydroxy-, methyl ester, [3R-(3.alpha.,3a.alpha.,5a.beta.,6.beta.,7.a lpha.,9a.alpha.,9b.beta.)]-")
