| SpectraBase Spectrum ID |
7Q9GzWMeZ70 |
| Name |
1H-Benz[E]indene-7-acetic acid, 6-ethyldodecahydro-3-hydroxy-3A-methyl-, 1,1-dimethylethyl ester, [3S-(3.alpha.,3A.alpha.,5A.beta.,6.beta.,7.alpha.,9A.alpha.,9B.beta.)]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.282095081 u |
| Formula |
C22H38O3 |
| InChI |
InChI=1S/C22H38O3/c1-6-15-14(13-20(24)25-21(2,3)4)7-8-17-16(15)11-12-22(5)18(17)9-10-19(22)23/h14-19,23H,6-13H2,1-5H3/t14-,15-,16+,17+,18-,19-,22-/m0/s1 |
| InChIKey |
UDJAUEFWTQSWHS-SSHXTSQHSA-N |
| Molecular Weight |
350.543 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC[C@]([C@@]([C@]3(CC2)[H])(CC)[H])(CC(OC(C)(C)C)=O)[H])[H])(CC[C@@]1(O)[H])[H])C |
![1H-Benz[e]indene-7-acetic acid, 6-ethyldodecahydro-3-hydroxy-3a-methyl-, 1,1-dimethylethyl ester, [3S-(3.alpha.,3a.alpha.,5a.beta.,6.beta.,7.alpha.,9a.alpha.,9b.beta.)]-](/api/spectrum/7Q9GzWMeZ70/structure.png?h=300&w=458 "1H-Benz[e]indene-7-acetic acid, 6-ethyldodecahydro-3-hydroxy-3a-methyl-, 1,1-dimethylethyl ester, [3S-(3.alpha.,3a.alpha.,5a.beta.,6.beta.,7.alpha.,9a.alpha.,9b.beta.)]-")
