| SpectraBase Spectrum ID |
1abOg1btQgg |
| Name |
(1R,2S,3S,4R,8S,9S)-1,4-Bis(benzoyloxy)-8,9-bis(benzyloxy)-2,3-(isopropylidenedioxy)cyclododeca-6,10-diyne |
| Alternate Name(s) |
(3aR,4S,8S,9S,13R,13aR)-13-(benzoyloxy)-8,9-bis(benzyloxy)-2,2-dimethyl-6,7,10,11-tetradehydro-3a,4,5,8,9,12,13,13a-octahydrocyclododeca[d][1,3]dioxol-4-yl benzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C43H40O8 |
| InChI |
InChI=1S/C43H40O8/c1-43(2)50-39-37(48-41(44)33-21-11-5-12-22-33)27-15-25-35(46-29-31-17-7-3-8-18-31)36(47-30-32-19-9-4-10-20-32)26-16-28-38(40(39)51-43)49-42(45)34-23-13-6-14-24-34/h3-14,17-24,35-40H,27-30H2,1-2H3/t35-,36-,37-,38+,39+,40+/m0/s1 |
| InChIKey |
RGZZLQQKAKJPDP-MGTGDHFRSA-N |
| Molecular Weight |
684.785 g/mol |
| SMILES |
[C@@]12([C@](OC(O2)(C)C)([C@@](OC(=O)c2ccccc2)(CC#C[C@@]([C@](C#CC[C@]1(OC(=O)c1ccccc1)[H])(OCc1ccccc1)[H])(OCc1ccccc1)[H])[H])[H])[H] |
| SPLASH |
splash10-0a4l-9700000000-b647a9ecd2b2c43e10ca |
| Source of Spectrum |
KC-0-740-18 |
| Wiley ID |
830086 |
