| SpectraBase Compound ID | 3mQgqlPlSMi |
|---|---|
| InChI | InChI=1S/C56H94O31/c1-7-56(6,87-55-46(75)40(69)48(30(20-60)82-55)85-54-43(72)37(66)34(63)29(19-59)81-54)16-10-15-27(17-57)14-9-12-23(2)11-8-13-24(3)21-76-51-44(73)39(68)49(31(83-51)22-77-50-41(70)35(64)32(61)25(4)78-50)86-52-45(74)38(67)47(26(5)79-52)84-53-42(71)36(65)33(62)28(18-58)80-53/h7,12-13,15,25-26,28-55,57-75H,1,8-11,14,16-22H2,2-6H3/b23-12+,24-13-,27-15-/t25-,26-,28-,29+,30+,31-,32-,33-,34+,35+,36+,37-,38-,39-,40+,41+,42-,43+,44-,45+,46+,47-,48+,49-,50+,51-,52-,53+,54-,55-,56+/m0/s1 |
| InChIKey | SFTJJXPNTXDKLC-DYRLHLDKSA-N |
| Mol Weight | 1263.3 g/mol |
| Molecular Formula | C56H94O31 |
| Exact Mass | 1262.577906 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Wy9r8VtGLp |
|---|---|
| Name | #1;HAB-1;CAPIONOSIDE-XVIII;3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-17,19-DIHYDROXY-6E,10E,14Z-(3S)-GERANYL-LINALOOL-17-O-BETA-D-GLUCOPYRANOSYL-( |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H94O31 |
| InChI | InChI=1S/C56H94O31/c1-7-56(6,87-55-46(75)40(69)48(30(20-60)82-55)85-54-43(72)37(66)34(63)29(19-59)81-54)16-10-15-27(17-57)14-9-12-23(2)11-8-13-24(3)21-76-51-44(73)39(68)49(31(83-51)22-77-50-41(70)35(64)32(61)25(4)78-50)86-52-45(74)38(67)47(26(5)79-52)84-53-42(71)36(65)33(62)28(18-58)80-53/h7,12-13,15,25-26,28-55,57-75H,1,8-11,14,16-22H2,2-6H3/b23-12+,24-13-,27-15-/t25-,26-,28-,29+,30+,31-,32-,33-,34+,35+,36+,37-,38-,39-,40+,41+,42-,43+,44-,45+,46+,47-,48+,49-,50+,51-,52-,53+,54-,55-,56+/m0/s1 |
| InChIKey | SFTJJXPNTXDKLC-DYRLHLDKSA-N |
| Literature Reference Author | J.H.LEE,M.EL-AASR,T.IKEDA,K.ODA,H.MIYASHITA,H.YOSHIMITSU,M.O KAWA,J.KINJO,T.NOHAR |
| Literature Reference Citation | CHEM.PHARM.BULL.,57,730(2009) |
| Literature Reference DOI | 10.1248/cpb.57.730 |
| Molecular Weight | 1263.344 g/mol |
| Sample ID | 2546 |
| Solvent | CD3OD |