SpectraBase Spectrum ID |
Lo9EsYvmHDy |
Name |
11,23-dimethyl-5,17-nonane-25,26,27,28-tetrahydroxycalix[4]arene |
CAS Registry Number |
115941-59-8 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C39H44O4 |
InChI |
InChI=1S/C39H44O4/c1-24-12-28-20-32-16-26-10-8-6-4-3-5-7-9-11-27-17-33(21-29(13-24)36(28)40)39(43)35(19-27)23-31-15-25(2)14-30(37(31)41)22-34(18-26)38(32)42/h12-19,40-43H,3-11,20-23H2,1-2H3 |
InChIKey |
XBMIRYQXLYCFLX-UHFFFAOYSA-N |
Molecular Weight |
576.777 g/mol |
SMILES |
Oc1c2Cc3c(c4Cc5c(c(Cc6c(c(Cc1cc(c2)C)cc(c6)CCCCCCCCCc(c4)c3)O)cc(c5)C)O)O |
SPLASH |
splash10-004i-0000090000-417f7b5ceb85243fe0eb |
Source of Spectrum |
C-110-6816-22 |
Synonyms |
21,30-dimethylhexacyclo[13.11.7.1(3,25).1(13,17).1(19,23).1(28,32)]heptatriaconta-1,3(35),13(37),14,16,19(36),20,22,25,28(34),29,31-dodecaene-16,26,34,36-tetrol |
Wiley ID |
1408271 |