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(4E,18E,20E)-7,9,10,11,12,13,14,15-octahydroxy-6'-(3-hydroxypentan-2-yl)-22-(2-hydroxypropyl)-5',6,8,16,28,29-hexamethyl-14-propylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3-one
SpectraBase Compound ID CIHB23SGpQ6
InChI InChI=1S/C48H84O14/c1-11-23-47(59)45(57)28(5)16-14-13-15-17-34(25-29(6)49)19-20-36-31(8)44(33(10)48(61-36)24-22-27(4)43(62-48)30(7)35(50)12-2)60-37(51)21-18-26(3)38(52)32(9)39(53)40(54)41(55)42(56)46(47)58/h13-15,17-18,21,26-36,38-46,49-50,52-59H,11-12,16,19-20,22-25H2,1-10H3/b14-13+,17-15+,21-18+
InChIKey CHACKNDEKDIBQZ-MQCNKYSOSA-N
Mol Weight 885.2 g/mol
Molecular Formula C48H84O14
Exact Mass 884.586107 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5wultg9DmnX
Name (4E,18E,20E)-7,9,10,11,12,13,14,15-octahydroxy-6'-(3-hydroxypentan-2-yl)-22-(2-hydroxypropyl)-5',6,8,16,28,29-hexamethyl-14-propylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3-one
Compound Number 2
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H84O14
InChI InChI=1S/C48H84O14/c1-11-23-47(59)45(57)28(5)16-14-13-15-17-34(25-29(6)49)19-20-36-31(8)44(33(10)48(61-36)24-22-27(4)43(62-48)30(7)35(50)12-2)60-37(51)21-18-26(3)38(52)32(9)39(53)40(54)41(55)42(56)46(47)58/h13-15,17-18,21,26-36,38-46,49-50,52-59H,11-12,16,19-20,22-25H2,1-10H3/b14-13+,17-15+,21-18+
InChIKey CHACKNDEKDIBQZ-MQCNKYSOSA-N
Literature Reference Author L.M.CANEDO,J.L.F.PUENTES,J.P.BAZ,X.H.HUANG,K.L.RINEHART
Literature Reference Citation J.ANTIBIOTICS,53,479(2000)
Literature Reference DOI 10.7164/antibiotics.53.479
Molecular Weight 885.187 g/mol
Solvent ACETONE-D6
Source File Reference UWSW459