| SpectraBase Spectrum ID |
4g9PCwPiXAa |
| Name |
5,11,17,23-Tetrakis(1,1-dimethylethyl)pentacyclo[19.3.1.1(3,7).1(9,132).1(15,19)]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),20,22-dodecaene-4,12,16-triol-24-one |
| Alternate Name(s) |
5,11,17,23-tetratert-butyl-12,16,24-trihydroxypentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3(28),5,7,9(27),10,12,15(26),16,18,21,23-dodecaen-4-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C44H54O4 |
| InChI |
InChI=1S/C44H54O4/c1-41(2,3)33-19-25-13-26-16-31(39(47)34(20-26)42(4,5)6)24-32-18-28(22-36(40(32)48)44(10,11)12)14-27-17-30(23-29(15-25)37(33)45)38(46)35(21-27)43(7,8)9/h13,15-22,45-46,48H,14,23-24H2,1-12H3/b26-13+ |
| InChIKey |
BWQLMOWXOXVRJW-LGJNPRDNSA-N |
| Molecular Weight |
646.912 g/mol |
| SMILES |
Oc1c2CC3=C\C(=C/c4cc(c(c(Cc5cc(Cc(cc1C(C)(C)C)c2)cc(c5O)C(C)(C)C)c4)O)C(C)(C)C)C=C(C3=O)C(C)(C)C |
| SPLASH |
splash10-0002-0000009000-d96970e36913553ad3ee |
| Source of Spectrum |
F-53-3298-8 |
| Wiley ID |
800952 |
![5,11,17,23-Tetrakis(1,1-dimethylethyl)pentacyclo[19.3.1.1(3,7).1(9,132).1(15,19)]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),20,22-dodecaene-4,12,16-triol-24-one](/api/spectrum/4g9PCwPiXAa/structure.png?h=300&w=458 "5,11,17,23-Tetrakis(1,1-dimethylethyl)pentacyclo[19.3.1.1(3,7).1(9,132).1(15,19)]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),20,22-dodecaene-4,12,16-triol-24-one")
