For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5,11,17,23-Tetrakis(T-butyl)-28-methoxy-pentacyclo(19.3.1.1/3,7/.1/9,13/.1/15,19/)octacosa-dodecene-25,26,27-triol
SpectraBase Compound ID sV0nEPVWnm
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
Mol Weight 663.0 g/mol
Molecular Formula C45H58O4
Exact Mass 662.43351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

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
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
Synonyms 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
Wiley ID 1413667