| SpectraBase Compound ID | 2BCMlMIKTYB |
|---|---|
| InChI | InChI=1S/C82H134O38/c1-13-81(11,119-79-71(62(98)56(92)49(34-85)112-79)117-76-66(102)59(95)54(90)47(32-83)110-76)28-18-26-39(4)21-15-20-38(3)23-17-25-42(7)36-106-75-68(104)64(100)69(51(114-75)37-107-74-65(101)58(94)52(88)44(9)108-74)116-78-70(61(97)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(63(99)57(93)50(35-86)113-80)118-77-67(103)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 | RQTJTAXXBXPNGE-RBPPIQDWSA-N |
| Mol Weight | 1727.9 g/mol |
| Molecular Formula | C82H134O38 |
| Exact Mass | 1726.85531 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4q46xoqjtti |
|---|---|
| Name | #2;CAPSIANOSIDE-C;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(62(98)56(92)49(34-85)112-79)117-76-66(102)59(95)54(90)47(32-83)110-76)28-18-26-39(4)21-15-20-38(3)23-17-25-42(7)36-106-75-68(104)64(100)69(51(114-75)37-107-74-65(101)58(94)52(88)44(9)108-74)116-78-70(61(97)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(63(99)57(93)50(35-86)113-80)118-77-67(103)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 | RQTJTAXXBXPNGE-RBPPIQDWSA-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 | 56105 |
| Solvent | CD3OD |