For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(1R,3R,3as,4S,7R,9ar,10Ar,Z)-1-(acetoxymethyl)-7-isopropyl-4,9A-dimethyl-1,2,3,3A,4,5,7,8,9,9A,10,10A-dodecahydrodicyclopenta[A,D][8]annulene-3,4-diyl diacetate

View entire compound with spectra: 1 FTIR

(1R,3R,3as,4S,7R,9ar,10Ar,Z)-1-(acetoxymethyl)-7-isopropyl-4,9A-dimethyl-1,2,3,3A,4,5,7,8,9,9A,10,10A-dodecahydrodicyclopenta[A,D][8]annulene-3,4-diyl diacetate
SpectraBase Compound ID FjI0vAcDkSt
InChI InChI=1S/C26H40O6/c1-15(2)20-8-10-25(6)13-21-19(14-30-16(3)27)12-23(31-17(4)28)24(21)26(7,32-18(5)29)11-9-22(20)25/h9,15,19-21,23-24H,8,10-14H2,1-7H3/b22-9-/t19-,20+,21+,23+,24-,25+,26-/m0/s1
InChIKey SQNPWPHOQKQKJR-ZXXCAWPMSA-N
Mol Weight 448.6 g/mol
Molecular Formula C26H40O6
Exact Mass 448.282489 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID L5gmTayR0zR
Name (1R,3R,3as,4S,7R,9ar,10Ar,Z)-1-(acetoxymethyl)-7-isopropyl-4,9A-dimethyl-1,2,3,3A,4,5,7,8,9,9A,10,10A-dodecahydrodicyclopenta[A,D][8]annulene-3,4-diyl diacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.282489002 u
Formula C26H40O6
InChI InChI=1S/C26H40O6/c1-15(2)20-8-10-25(6)13-21-19(14-30-16(3)27)12-23(31-17(4)28)24(21)26(7,32-18(5)29)11-9-22(20)25/h9,15,19-21,23-24H,8,10-14H2,1-7H3/b22-9-/t19-,20+,21+,23+,24-,25+,26-/m0/s1
InChIKey SQNPWPHOQKQKJR-ZXXCAWPMSA-N
Molecular Weight 448.600 g/mol
SMILES [C@@]12([C@](C[C@@]3(\C(=C/C[C@@]2(OC(C)=O)C)[C@](CC3)(C(C)C)[H])C)([C@@](C[C@]1(OC(C)=O)[H])(COC(C)=O)[H])[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.927066