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

*Links on SpectraBase are not permalinks.
#3;CAPSIANOSIDE-D;3'-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-6'E,10'E,14'Z-(3'S)-17-HYDROXYGERANYLLINALOOL-17'-O-[3-O-BETA-D-GLUCOPYRANOSYL-(1->2)
SpectraBase Compound ID ForHEy2HJn
InChI InChI=1S/C82H134O38/c1-13-81(11,119-79-71(61(97)56(92)49(34-85)112-79)117-76-65(101)59(95)54(90)47(32-83)110-76)28-18-26-39(4)21-15-20-38(3)23-17-25-42(7)36-106-75-67(103)63(99)69(51(114-75)37-107-74-64(100)58(94)52(88)44(9)108-74)116-78-68(104)70(53(89)45(10)109-78)115-73(105)43(8)31-46(87)30-41(6)24-16-22-40(5)27-19-29-82(12,14-2)120-80-72(62(98)57(93)50(35-86)113-80)118-77-66(102)60(96)55(91)48(33-84)111-77/h13-14,20,24-27,31,44-72,74-80,83-104H,1-2,15-19,21-23,28-30,32-37H2,3-12H3/b38-20+,39-26+,40-27+,41-24+,42-25+,43-31+/t44-,45-,46?,47+,48+,49+,50+,51-,52-,53-,54+,55+,56+,57+,58+,59-,60-,61-,62-,63-,64+,65+,66+,67-,68+,69-,70+,71+,72+,74+,75-,76-,77-,78-,79-,80-,81+,82+/m0/s1
InChIKey AYVUMORLNURNRO-NFTSKUHGSA-N
Mol Weight 1727.9 g/mol
Molecular Formula C82H134O38
Exact Mass 1726.85531 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 4wicvgZ9Vsw
Name #3;CAPSIANOSIDE-D;3'-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-6'E,10'E,14'Z-(3'S)-17-HYDROXYGERANYLLINALOOL-17'-O-[3-O-BETA-D-GLUCOPYRANOSYL-(1->2)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C82H134O38
InChI InChI=1S/C82H134O38/c1-13-81(11,119-79-71(61(97)56(92)49(34-85)112-79)117-76-65(101)59(95)54(90)47(32-83)110-76)28-18-26-39(4)21-15-20-38(3)23-17-25-42(7)36-106-75-67(103)63(99)69(51(114-75)37-107-74-64(100)58(94)52(88)44(9)108-74)116-78-68(104)70(53(89)45(10)109-78)115-73(105)43(8)31-46(87)30-41(6)24-16-22-40(5)27-19-29-82(12,14-2)120-80-72(62(98)57(93)50(35-86)113-80)118-77-66(102)60(96)55(91)48(33-84)111-77/h13-14,20,24-27,31,44-72,74-80,83-104H,1-2,15-19,21-23,28-30,32-37H2,3-12H3/b38-20+,39-26+,40-27+,41-24+,42-25+,43-31+/t44-,45-,46?,47+,48+,49+,50+,51-,52-,53-,54+,55+,56+,57+,58+,59-,60-,61-,62-,63-,64+,65+,66+,67-,68+,69-,70+,71+,72+,74+,75-,76-,77-,78-,79-,80-,81+,82+/m0/s1
InChIKey AYVUMORLNURNRO-NFTSKUHGSA-N
Literature Reference Author J.H.LEE,N.KIYOTA,T.IKEDA,T.NOHARA
Literature Reference Citation CHEM.PHARM.BULL.,55,1151(2007)
Literature Reference DOI 10.1248/cpb.55.1151
Molecular Weight 1727.943 g/mol
Sample ID 56106
Solvent CD3OD