| SpectraBase Spectrum ID |
BmlMxXp0ceG |
| Name |
(2S,3R,6S)-3-Benzyloxy-2-benzyloxymethoxy-3-ethyl-6,7-isopropylidenedioxyheptane |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
442.271924319 u |
| Formula |
C27H38O5 |
| InChI |
InChI=1S/C27H38O5/c1-5-27(31-19-24-14-10-7-11-15-24,17-16-25-20-30-26(3,4)32-25)22(2)29-21-28-18-23-12-8-6-9-13-23/h6-15,22,25H,5,16-21H2,1-4H3/t22-,25-,27+/m0/s1 |
| InChIKey |
VAQHJWIWGWURDV-RIACCQAKSA-N |
| Molecular Weight |
442.596 g/mol |
| SMILES |
C1(O[C@@](CC[C@@](OCC=2C=CC=CC2)([C@@](OCOCC2=CC=CC=C2)(C)[H])CC)(CO1)[H])(C)C |
