| SpectraBase Compound ID | BFr541MytIn |
|---|---|
| InChI | InChI=1S/C52H84O20/c1-23-32(56)40(70-42-37(61)33(57)26(54)21-65-42)39(63)44(67-23)71-41-34(58)27(55)22-66-45(41)69-31-12-13-49(6)29(48(31,4)5)11-14-51(8)30(49)10-9-24-25-19-47(2,3)15-17-52(25,18-16-50(24,51)7)46(64)72-43-38(62)36(60)35(59)28(20-53)68-43/h9,23,25-45,53-63H,10-22H2,1-8H3/t23-,25-,26+,27-,28+,29-,30+,31-,32-,33+,34-,35+,36-,37+,38+,39+,40+,41+,42-,43-,44-,45-,49+,50+,51+,52-/m0/s1 |
| InChIKey | JJSJZGSCSPQRQH-NKGMZLJGSA-N |
| Mol Weight | 1029.2 g/mol |
| Molecular Formula | C52H84O20 |
| Exact Mass | 1028.555595 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LH4BiuxWtpO |
|---|---|
| Name | CLEMATICHINENOSIDE-A;#3;3-O-BETA-D-RIBOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-OLEANOLIC-ACID-28-O-BETA-D-GLUCOPYRANOSYLESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H84O20 |
| InChI | InChI=1S/C52H84O20/c1-23-32(56)40(70-42-37(61)33(57)26(54)21-65-42)39(63)44(67-23)71-41-34(58)27(55)22-66-45(41)69-31-12-13-49(6)29(48(31,4)5)11-14-51(8)30(49)10-9-24-25-19-47(2,3)15-17-52(25,18-16-50(24,51)7)46(64)72-43-38(62)36(60)35(59)28(20-53)68-43/h9,23,25-45,53-63H,10-22H2,1-8H3/t23-,25-,26+,27-,28+,29-,30+,31-,32-,33+,34-,35+,36-,37+,38+,39+,40+,41+,42-,43-,44-,45-,49+,50+,51+,52-/m0/s1 |
| InChIKey | JJSJZGSCSPQRQH-NKGMZLJGSA-N |
| Literature Reference Author | B.SHAO,G.QIN,R.XU,H.WU,K.MA |
| Literature Reference Citation | PHYTOCHEM.,38,1473(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00899-5 |
| Molecular Weight | 1029.227 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS4051 |