| SpectraBase Spectrum ID |
ICgtyg031MW |
| Name |
(6ar,12Bs)-8-benzyloxy-1,2.3,4,4A,5,6,6A,12A,12B-decahydro-11-methoxy-4,4,6A,12B-tetramethtl-9H-benzo[A]xanthene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
434.282095081 u |
| Formula |
C29H38O3 |
| InChI |
InChI=1S/C29H38O3/c1-27(2)15-9-16-28(3)24(27)14-17-29(4)25(28)18-21-22(30-5)12-13-23(26(21)32-29)31-19-20-10-7-6-8-11-20/h6-8,10-13,24-25H,9,14-19H2,1-5H3/t24?,25?,28-,29+/m0/s1 |
| InChIKey |
JXRDSLRLBMSPEI-PWNJXPRTSA-N |
| Molecular Weight |
434.620 g/mol |
| SMILES |
[C@]12(OC=3C(CC2[C@]2(CCCC(C2CC1)(C)C)C)=C(C=CC3OCC1=CC=CC=C1)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932395 |
![(6aR,12bS)-8-Benzyloxy-1,2.3,4,4a,5,6,6a,12a,12b-decahydro-11-methoxy-4,4,6a,12b-tetramethtl-9H-benzo[a]xanthene](/api/spectrum/ICgtyg031MW/structure.png?h=300&w=458 "(6aR,12bS)-8-Benzyloxy-1,2.3,4,4a,5,6,6a,12a,12b-decahydro-11-methoxy-4,4,6a,12b-tetramethtl-9H-benzo[a]xanthene")
