| SpectraBase Spectrum ID |
COo52cbYEGI |
| Name |
5,11,17,23-Tetrakis(1,1-dimethylethyl)-28-phenylmethoxypentacyclo[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-dodecene-25,26,27-triol |
| Alternate Name(s) |
28-(benzyloxy)-5,11,17,23-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-25,26,27-triol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C51H62O4 |
| InChI |
InChI=1S/C51H62O4/c1-48(2,3)40-22-32-18-34-24-41(49(4,5)6)26-36(45(34)53)20-38-28-43(51(10,11)12)29-39(47(38)55-30-31-16-14-13-15-17-31)21-37-27-42(50(7,8)9)25-35(46(37)54)19-33(23-40)44(32)52/h13-17,22-29,52-54H,18-21,30H2,1-12H3 |
| InChIKey |
UJIYFKPPAWOGEA-UHFFFAOYSA-N |
| Molecular Weight |
739.053 g/mol |
| SMILES |
Oc1c2Cc3c(c(Cc4c(c(Cc5c(c(Cc1cc(c2)C(C)(C)C)cc(c5)C(C)(C)C)O)cc(c4)C(C)(C)C)O)cc(c3)C(C)(C)C)OCc1ccccc1 |
| SPLASH |
splash10-0002-0000009100-5b144d091574e1332e47 |
| Source of Spectrum |
F-47-2227-4 |
| Wiley ID |
1416081 |
