| SpectraBase Spectrum ID |
i0As4W9Io5 |
| Name |
2,3-Butanedione, 1-[3-(acetyloxy)dodecahydro-3A,6-dimethylspiro[7H-benz[E]indene-7,2'-[1,3]dioxolan]-6-yl]-, [3S-(3.alpha.,3A.alpha.,5A.beta.,6.beta.,9A.alpha.,9B.beta.)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.235538809 u |
| Formula |
C23H34O6 |
| InChI |
InChI=1S/C23H34O6/c1-14(24)19(26)13-22(4)18-8-9-21(3)17(5-6-20(21)29-15(2)25)16(18)7-10-23(22)27-11-12-28-23/h16-18,20H,5-13H2,1-4H3/t16-,17-,18-,20+,21-,22+/m1/s1 |
| InChIKey |
XMEQTXZGWCPKQB-XJQPKEKPSA-N |
| Molecular Weight |
406.519 g/mol |
| SMILES |
[C@]1([C@]2([C@]([C@]3(CC[C@@]([C@@]3(CC2)C)(OC(=O)C)[H])[H])([H])CCC11OCCO1)[H])(CC(C(=O)C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913848 |
![2,3-Butanedione, 1-[3-(acetyloxy)dodecahydro-3a,6-dimethylspiro[7H-benz[e]indene-7,2'-[1,3]dioxolan]-6-yl]-, [3S-(3.alpha.,3a.alpha.,5a.beta.,6.beta.,9a.alpha.,9b.beta.)]-](/api/spectrum/i0As4W9Io5/structure.png?h=300&w=458 "2,3-Butanedione, 1-[3-(acetyloxy)dodecahydro-3a,6-dimethylspiro[7H-benz[e]indene-7,2'-[1,3]dioxolan]-6-yl]-, [3S-(3.alpha.,3a.alpha.,5a.beta.,6.beta.,9a.alpha.,9b.beta.)]-")
