| SpectraBase Compound ID | 7PZPp4QRFqN |
|---|---|
| InChI | InChI=1S/C82H134O37/c1-13-81(11,118-79-71(61(96)56(91)49(35-85)111-79)116-76-65(100)59(94)54(89)47(33-83)109-76)31-19-28-41(5)23-15-21-39(3)25-17-27-43(7)37-105-75-67(102)63(98)69(51(113-75)38-106-74-64(99)58(93)52(87)45(9)107-74)115-78-68(103)70(53(88)46(10)108-78)114-73(104)44(8)30-18-26-40(4)22-16-24-42(6)29-20-32-82(12,14-2)119-80-72(62(97)57(92)50(36-86)112-80)117-77-66(101)60(95)55(90)48(34-84)110-77/h13-14,21-22,27-30,45-72,74-80,83-103H,1-2,15-20,23-26,31-38H2,3-12H3/b39-21+,40-22+,41-28+,42-29+,43-27+,44-30+/t45-,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 | UVXIGOYHBNYWSC-REEROLNZSA-N |
| Mol Weight | 1711.9 g/mol |
| Molecular Formula | C82H134O37 |
| Exact Mass | 1710.860395 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | gq9xSIc3Jh |
|---|---|
| Name | #5;CAPSIANOSIDE-F;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 | C82H134O37 |
| InChI | InChI=1S/C82H134O37/c1-13-81(11,118-79-71(61(96)56(91)49(35-85)111-79)116-76-65(100)59(94)54(89)47(33-83)109-76)31-19-28-41(5)23-15-21-39(3)25-17-27-43(7)37-105-75-67(102)63(98)69(51(113-75)38-106-74-64(99)58(93)52(87)45(9)107-74)115-78-68(103)70(53(88)46(10)108-78)114-73(104)44(8)30-18-26-40(4)22-16-24-42(6)29-20-32-82(12,14-2)119-80-72(62(97)57(92)50(36-86)112-80)117-77-66(101)60(95)55(90)48(34-84)110-77/h13-14,21-22,27-30,45-72,74-80,83-103H,1-2,15-20,23-26,31-38H2,3-12H3/b39-21+,40-22+,41-28+,42-29+,43-27+,44-30+/t45-,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 | UVXIGOYHBNYWSC-REEROLNZSA-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 | 1711.944 g/mol |
| Sample ID | 56108 |
| Solvent | CD3OD |