![(3R,6aS,11S,13aR,15bR)-3,11-dimethoxy-4,4,6a,10,10,13a,15b-heptamethyl-2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-1H-cyclohepta[1,2-a:5,4-a']dinaphthalene](/api/spectrum/2rO5Xll4UNL/structure.png?h=300&w=458 "(3R,6aS,11S,13aR,15bR)-3,11-dimethoxy-4,4,6a,10,10,13a,15b-heptamethyl-2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-1H-cyclohepta[1,2-a:5,4-a']dinaphthalene")
| SpectraBase Compound ID | JQxwvgFVweB |
|---|---|
| InChI | InChI=1S/C32H54O2/c1-28(2)23-12-10-21-20-30(5)17-14-24-29(3,4)27(34-9)16-19-32(24,7)25(30)13-11-22(21)31(23,6)18-15-26(28)33-8/h10,22-27H,11-20H2,1-9H3/t22?,23?,24?,25?,26-,27+,30-,31+,32-/m0/s1 |
| InChIKey | IQZGFOPYNPSWQZ-YSOVYBASSA-N |
| Mol Weight | 470.8 g/mol |
| Molecular Formula | C32H54O2 |
| Exact Mass | 470.412381 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2rO5Xll4UNL |
|---|---|
| Name | (3R,6as,11S,13Ar,15BR)-3,11-dimethoxy-4,4,6A,10,10,13A,15B-heptamethyl-2,3,4,4A,5,6,6A,7,9,9A,10,11,12,13,13A,13B,14,15,15A,15B-icosahydro-1H-cyclohepta[1,2-A:5,4-A']dinaphthalene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 470.412380977 u |
| Formula | C32H54O2 |
| InChI | InChI=1S/C32H54O2/c1-28(2)23-12-10-21-20-30(5)17-14-24-29(3,4)27(34-9)16-19-32(24,7)25(30)13-11-22(21)31(23,6)18-15-26(28)33-8/h10,22-27H,11-20H2,1-9H3/t22?,23?,24?,25?,26-,27+,30-,31+,32-/m0/s1 |
| InChIKey | IQZGFOPYNPSWQZ-YSOVYBASSA-N |
| Molecular Weight | 470.782 g/mol |
| SMILES | C1[C@](C(C2[C@](C1)(C1[C@@](CC2)(CC=2C(CC1)[C@@]1(C(CC2)C([C@](CC1)(OC)[H])(C)C)C)C)C)(C)C)(OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.807739 |