| SpectraBase Spectrum ID |
Ih5u2VgaA7O |
| Name |
2,8,14,20-tetrabutylpentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol |
| Alternate Name(s) |
2,8,14,20-tetratert-butylpentacyclo[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-4,6,10,12,16,18,22,24-octol |
| CAS Registry Number |
118600-19-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C44H56O8 |
| InChI |
InChI=1S/C44H56O8/c1-41(2,3)37-21-13-23(31(47)17-29(21)45)38(42(4,5)6)25-15-27(35(51)19-33(25)49)40(44(10,11)12)28-16-26(34(50)20-36(28)52)39(43(7,8)9)24-14-22(37)30(46)18-32(24)48/h13-20,37-40,45-52H,1-12H3 |
| InChIKey |
ROFUUYBEQNANDO-UHFFFAOYSA-N |
| Molecular Weight |
712.924 g/mol |
| SMILES |
Oc1cc(c2cc1C(c1c(cc(c(C(c3c(cc(c(C(c4cc(C2C(C)(C)C)c(cc4O)O)C(C)(C)C)c3)O)O)C(C)(C)C)c1)O)O)C(C)(C)C)O |
| SPLASH |
splash10-0a4i-0000009100-2a2d0684c3a9f460fb27 |
| Source of Spectrum |
J-54-1310-5 |
| Wiley ID |
1415415 |
![2,8,14,20-tetrabutylpentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol](/api/spectrum/Ih5u2VgaA7O/structure.png?h=300&w=458 "2,8,14,20-tetrabutylpentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol")
