![Naphtho[1,2-c]furan, 1,3,5,5a,6,7,8,9,9a,9b-decahydro-6,6,9a-trimethyl-1,3-bis[(1,4,4a,5,6 ,7,8,8a-octahydro-2,5,5,8a-tetramethyl-1-naphthalenyl)methoxy]-, [1R-[1.alpha.(1S*,4aS*,8aS*),3.beta.(1S*,4aS*,8aS*),5a.alpha.,9a.beta.,9b.alpha.]]-](/api/spectrum/ANaaUY1lQm3/structure.png?h=300&w=458 "Naphtho[1,2-c]furan, 1,3,5,5a,6,7,8,9,9a,9b-decahydro-6,6,9a-trimethyl-1,3-bis[(1,4,4a,5,6 ,7,8,8a-octahydro-2,5,5,8a-tetramethyl-1-naphthalenyl)methoxy]-, [1R-[1.alpha.(1S*,4aS*,8aS*),3.beta.(1S*,4aS*,8aS*),5a.alpha.,9a.beta.,9b.alpha.]]-")
| SpectraBase Compound ID | JA3oc0psIAM |
|---|---|
| InChI | InChI=1S/C45H72O3/c1-29-15-18-34-40(3,4)21-12-24-43(34,9)32(29)27-46-38-31-17-20-36-42(7,8)23-14-26-45(36,11)37(31)39(48-38)47-28-33-30(2)16-19-35-41(5,6)22-13-25-44(33,35)10/h15-17,32-39H,12-14,18-28H2,1-11H3/t32?,33?,34-,35?,36+,37-,38-,39-,43+,44?,45+/m0/s1 |
| InChIKey | IFNBWBFIRRHSKB-SRKQHVPLSA-N |
| Mol Weight | 661.1 g/mol |
| Molecular Formula | C45H72O3 |
| Exact Mass | 660.548146 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ANaaUY1lQm3 |
|---|---|
| Name | Naphtho[1,2-C]furan, 1,3,5,5A,6,7,8,9,9A,9B-decahydro-6,6,9A-trimethyl-1,3-bis[(1,4,4A,5,6 ,7,8,8A-octahydro-2,5,5,8A-tetramethyl-1-naphthalenyl)methoxy]-, [1R-[1.alpha.(1S*,4as*,8as*),3.beta.(1S*,4as*,8as*),5A.alpha.,9A.beta.,9B.alpha.]]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 660.548146175 u |
| Formula | C45H72O3 |
| InChI | InChI=1S/C45H72O3/c1-29-15-18-34-40(3,4)21-12-24-43(34,9)32(29)27-46-38-31-17-20-36-42(7,8)23-14-26-45(36,11)37(31)39(48-38)47-28-33-30(2)16-19-35-41(5,6)22-13-25-44(33,35)10/h15-17,32-39H,12-14,18-28H2,1-11H3/t32?,33?,34-,35?,36+,37-,38-,39-,43+,44?,45+/m0/s1 |
| InChIKey | IFNBWBFIRRHSKB-SRKQHVPLSA-N |
| Molecular Weight | 661.068 g/mol |
| SMILES | [C@]12([C@]3(C([C@@](OCC4[C@@]5([C@@](C(C)(C)CCC5)([H])CC=C4C)C)(O[C@@]3(OCC3C4(C(C(C)(C)CCC4)CC=C3C)C)[H])[H])=CC[C@@]2(C(C)(C)CCC1)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.898678 |