![(6aR,6bS,10aR,10bS,16aR,20bS)-1,2,3,4,5,6,6a,6b,10a,10b,11,12,13,14,15,16,16a,20b-octadecahydrodicyclonona[fg,op]naphthacene-7,10,17,20-tetrone](/api/spectrum/82F9jajSBew/structure.png?h=300&w=458 "(6aR,6bS,10aR,10bS,16aR,20bS)-1,2,3,4,5,6,6a,6b,10a,10b,11,12,13,14,15,16,16a,20b-octadecahydrodicyclonona[fg,op]naphthacene-7,10,17,20-tetrone")
| SpectraBase Compound ID | Jn8qB4bnw4R |
|---|---|
| InChI | InChI=1S/C30H34O4/c31-21-13-14-23(33)29-19-11-7-3-4-8-12-20-26(19)25-17(27(21)29)9-5-1-2-6-10-18(25)28-22(32)15-16-24(34)30(20)28/h13-20,27,29H,1-12H2/t17-,18-,19+,20+,27+,29- |
| InChIKey | SVEHSEDNWTXNMY-HCTRTYFSSA-N |
| Mol Weight | 458.6 g/mol |
| Molecular Formula | C30H34O4 |
| Exact Mass | 458.24571 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 82F9jajSBew |
|---|---|
| Name | (6ar,6bs,10Ar,10BS,16AR,20BS)-1,2,3,4,5,6,6A,6B,10A,10B,11,12,13,14,15,16,16A,20B-octadecahydrodicyclonona[fg,op]naphthacene-7,10,17,20-tetrone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 458.245709571 u |
| Formula | C30H34O4 |
| InChI | InChI=1S/C30H34O4/c31-21-13-14-23(33)29-19-11-7-3-4-8-12-20-26(19)25-17(27(21)29)9-5-1-2-6-10-18(25)28-22(32)15-16-24(34)30(20)28/h13-20,27,29H,1-12H2/t17-,18-,19+,20+,27+,29- |
| InChIKey | SVEHSEDNWTXNMY-HCTRTYFSSA-N |
| Molecular Weight | 458.598 g/mol |
| SMILES | C12=C3[C@@]4(CCCCCC[C@]3([H])[C@]3([C@@]([C@@]1(CCCCCC[C@]2(C1=C4C(C=CC1=O)=O)[H])[H])(C(C=CC3=O)=O)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.861701 |