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

*Links on SpectraBase are not permalinks.
#3;CRYPTOPORIC-ACID-J;(2R,3S)-2-[[(1S*,4AR*,5R*,8AS*)-5-(HYDROXYMETHYL)-5,8A-DIMETHYL-2-METHYLENEDECAHYDRO-NAPHTHALEN-1-YL]-METHOXY]-3-(METHOXYCARBONYL)-PENTAN
SpectraBase Compound ID 1DJfGQsa5MU
InChI InChI=1S/C45H66O14/c1-26-12-15-33-43(4)17-11-18-44(33,5)30(26)22-56-36(40(51)54-8)28(20-34(46)47)38(49)58-24-42(3)16-10-19-45(6)31(27(2)13-14-32(42)45)23-57-37(41(52)55-9)29(21-35(48)53-7)39(50)59-25-43/h28-33,36-37H,1-2,10-25H2,3-9H3,(H,46,47)/t28?,29?,30-,31-,32-,33-,36?,37?,42-,43-,44+,45+/m0/s1
InChIKey IKZJSLQXHCPYJG-HVLZLIGWSA-N
Mol Weight 831.0 g/mol
Molecular Formula C45H66O14
Exact Mass 830.445257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID Fm0Gnw4o3s4
Name #3;CRYPTOPORIC-ACID-J;(2R,3S)-2-[[(1S*,4AR*,5R*,8AS*)-5-(HYDROXYMETHYL)-5,8A-DIMETHYL-2-METHYLENEDECAHYDRO-NAPHTHALEN-1-YL]-METHOXY]-3-(METHOXYCARBONYL)-PENTAN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H66O14
InChI InChI=1S/C45H66O14/c1-26-12-15-33-43(4)17-11-18-44(33,5)30(26)22-56-36(40(51)54-8)28(20-34(46)47)38(49)58-24-42(3)16-10-19-45(6)31(27(2)13-14-32(42)45)23-57-37(41(52)55-9)29(21-35(48)53-7)39(50)59-25-43/h28-33,36-37H,1-2,10-25H2,3-9H3,(H,46,47)/t28?,29?,30-,31-,32-,33-,36?,37?,42-,43-,44+,45+/m0/s1
InChIKey IKZJSLQXHCPYJG-HVLZLIGWSA-N
Literature Reference Author J.MENG,Y.Y.LI,Y.X.OU,L.F.SONG,C.H.LU,Y.M.SHEN
Literature Reference Citation MYCOLOGY,2,30(2011)
Literature Reference DOI 10.1080/21501203.2011.554908
Molecular Weight 831.011 g/mol
Solvent CD3OD
Source File Reference UWLU82036