| SpectraBase Spectrum ID |
7OZDJqug1Q5 |
| Name |
Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-5,17-dicarboxylic acid, 11,23-bis(1,1-dimethylethyl)-25,26,27,28-tetrahydroxy-, diethyl ester, stereoisomer |
| Alternate Name(s) |
11,23-di-tert-butyl-5,17-diethoxycarbonyl-25,26,27,28-tetrahydroxycalix[4]arene
diethyl 11,23-ditert-butyl-25,26,27,28-tetrahydroxypentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,17-dicarboxylate |
| CAS Registry Number |
127679-85-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C42H48O8 |
| InChI |
InChI=1S/C42H48O8/c1-9-49-39(47)31-15-23-11-27-19-33(41(3,4)5)21-29(37(27)45)13-25-17-32(40(48)50-10-2)18-26(36(25)44)14-30-22-34(42(6,7)8)20-28(38(30)46)12-24(16-31)35(23)43/h15-22,43-46H,9-14H2,1-8H3 |
| InChIKey |
KBQYISINMWSIAC-UHFFFAOYSA-N |
| Molecular Weight |
680.838 g/mol |
| SMILES |
Oc1c2Cc3c(c(Cc4c(c(Cc5c(c(Cc1cc(C(=O)OCC)c2)cc(c5)C(C)(C)C)O)cc(C(=O)OCC)c4)O)cc(c3)C(C)(C)C)O |
| SPLASH |
splash10-000i-0000009000-b33ce551eafdbdb1d555 |
| Source of Spectrum |
F-46-679-15 |
| Wiley ID |
1414349 |
![Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-5,17-dicarboxylic acid, 11,23-bis(1,1-dimethylethyl)-25,26,27,28-tetrahydroxy-, diethyl ester, stereoisomer](/api/spectrum/7OZDJqug1Q5/structure.png?h=300&w=458 "Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-5,17-dicarboxylic acid, 11,23-bis(1,1-dimethylethyl)-25,26,27,28-tetrahydroxy-, diethyl ester, stereoisomer")
