| SpectraBase Spectrum ID |
4KYYSFzeiMr |
| Name |
5,11,17,23-tetratert-butyl-28-methoxypentacyclo[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 |
| Alternate Name(s) |
5,11,17 23-tetrakis(1,1-dimethylethyl)-28-methoxypentacyclo[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 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C45H58O4 |
| InChI |
InChI=1S/C45H58O4/c1-42(2,3)34-18-26-14-28-20-35(43(4,5)6)22-30(39(28)47)16-32-24-37(45(10,11)12)25-33(41(32)49-13)17-31-23-36(44(7,8)9)21-29(40(31)48)15-27(19-34)38(26)46/h18-25,46-48H,14-17H2,1-13H3 |
| InChIKey |
LJDJLJXVVGTBJM-UHFFFAOYSA-N |
| Molecular Weight |
662.955 g/mol |
| SMILES |
Oc1c2Cc3c(c(Cc4c(c(Cc5c(c(Cc1cc(c2)C(C)(C)C)cc(c5)C(C)(C)C)OC)cc(c4)C(C)(C)C)O)cc(c3)C(C)(C)C)O |
| SPLASH |
splash10-03di-0000009000-c2e44cccb5f547ae8811 |
| Source of Spectrum |
F-47-2225-4 |
| Wiley ID |
1413667 |
