| SpectraBase Spectrum ID |
IQ1qD4ExMjb |
| Name |
1,3,4,6-Pentalenetetracarboxylic acid, 1,3a,4,6a-tetrahydro-2,5-dihydroxy-, tetrakis(1,1-dimethylethyl) ester, (1.alpha.,3a.alpha.,4.alpha.,6a.alpha.)- |
| Alternate Name(s) |
tetra(tert-butyl) (1S,3aR,4S,6aR)-2,5-dihydroxy-1,3a,4,6a-tetrahydro-1,3,4,6-pentalenetetracarboxylate
Tetra-tert-butyl cis-3,7-dihydroxy-cis-bicyclo[3.3.0]octa-2,6-diene-2,4,6,8-tetracarboxylate |
| CAS Registry Number |
114057-75-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H42O10 |
| InChI |
InChI=1S/C28H42O10/c1-25(2,3)35-21(31)15-13-14(17(19(15)29)23(33)37-27(7,8)9)18(24(34)38-28(10,11)12)20(30)16(13)22(32)36-26(4,5)6/h13-15,18,29-30H,1-12H3/t13-,14+,15+,18+/m1/s1 |
| InChIKey |
GZNKMILDUSJWJY-LLDVTBCESA-N |
| Molecular Weight |
538.634 g/mol |
| SMILES |
OC1=C([C@]2([C@@](C(=C([C@]2([C@@]1(C(OC(C)(C)C)=O)[H])[H])C(OC(C)(C)C)=O)O)(C(OC(C)(C)C)=O)[H])[H])C(OC(C)(C)C)=O |
| SPLASH |
splash10-004i-0000900000-8d27dac3587c683b30e9 |
| Source of Spectrum |
J-53-2336-6 |
| Wiley ID |
1404314 |
