![16-BETA-[[(4S)-5-(BETA-D-GLUCOPYRANOSYLOXY)-4-METHYL-1-OXOPENTYL]-OXY]-3-BETA-[(O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[O-BETA-D-GLUCOPYRANOSYL-(1->4)-](/api/spectrum/6vP7q0gmZx8/structure.png?h=300&w=458 "16-BETA-[[(4S)-5-(BETA-D-GLUCOPYRANOSYLOXY)-4-METHYL-1-OXOPENTYL]-OXY]-3-BETA-[(O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[O-BETA-D-GLUCOPYRANOSYL-(1->4)-")
| SpectraBase Compound ID | HVB2nRbhcvG |
|---|---|
| InChI | InChI=1S/C57H92O28/c1-21(20-75-51-44(71)41(68)37(64)31(17-58)80-51)7-10-34(62)79-30-16-29-27-9-8-25-15-26(11-13-56(25,5)28(27)12-14-57(29,6)35(30)22(2)61)78-55-50(85-52-45(72)40(67)36(63)23(3)76-52)49(39(66)33(19-60)82-55)84-53-47(74)43(70)48(24(4)77-53)83-54-46(73)42(69)38(65)32(18-59)81-54/h8,21,23-24,26-33,35-55,58-60,63-74H,7,9-20H2,1-6H3/t21-,23-,24+,26+,27-,28+,29+,30+,31-,32+,33-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44-,45+,46+,47-,48+,49+,50-,51-,52-,53+,54-,55-,56+,57+/m1/s1 |
| InChIKey | XGJQNJZEKDVFDV-LEQQPJAISA-N |
| Mol Weight | 1225.3 g/mol |
| Molecular Formula | C57H92O28 |
| Exact Mass | 1224.577512 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6vP7q0gmZx8 |
|---|---|
| Name | 16-BETA-[[(4S)-5-(BETA-D-GLUCOPYRANOSYLOXY)-4-METHYL-1-OXOPENTYL]-OXY]-3-BETA-[(O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[O-BETA-D-GLUCOPYRANOSYL-(1->4)- |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H92O28 |
| InChI | InChI=1S/C57H92O28/c1-21(20-75-51-44(71)41(68)37(64)31(17-58)80-51)7-10-34(62)79-30-16-29-27-9-8-25-15-26(11-13-56(25,5)28(27)12-14-57(29,6)35(30)22(2)61)78-55-50(85-52-45(72)40(67)36(63)23(3)76-52)49(39(66)33(19-60)82-55)84-53-47(74)43(70)48(24(4)77-53)83-54-46(73)42(69)38(65)32(18-59)81-54/h8,21,23-24,26-33,35-55,58-60,63-74H,7,9-20H2,1-6H3/t21-,23-,24+,26+,27-,28+,29+,30+,31-,32+,33-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44-,45+,46+,47-,48+,49+,50-,51-,52-,53+,54-,55-,56+,57+/m1/s1 |
| InChIKey | XGJQNJZEKDVFDV-LEQQPJAISA-N |
| Literature Reference Author | A.YOKOSUKA,Y.MIMAKI,Y.SASHIDA |
| Literature Reference Citation | J.NAT.PROD.,65,1293(2002) |
| Literature Reference DOI | 10.1021/np020094l |
| Molecular Weight | 1225.341 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSI5194 |