| SpectraBase Compound ID | 8h0ELIGyrbe |
|---|---|
| InChI | InChI=1S/C64H100O34/c1-23-33(70)39(76)46(96-52-44(81)40(77)45(24(2)91-52)95-50-41(78)36(73)31(19-87-50)94-55-48(82)64(86,22-89-55)21-88-51-42(79)37(74)34(71)29(17-65)92-51)54(90-23)98-57(85)62-11-10-58(3,4)15-26(62)25-14-27(68)47-59(5)16-28(69)49(97-53-43(80)38(75)35(72)30(18-66)93-53)61(7,56(83)84)32(59)8-9-60(47,6)63(25,20-67)13-12-62/h14,23-24,26,28-55,65-67,69-82,86H,8-13,15-22H2,1-7H3,(H,83,84)/t23-,24+,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-,59+,60-,61+,62+,63+,64+/m1/s1 |
| InChIKey | POOABRCSZIFIRN-ZXHHLGLRSA-N |
| Mol Weight | 1413.5 g/mol |
| Molecular Formula | C64H100O34 |
| Exact Mass | 1412.6096 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 45lA1M3fBe9 |
|---|---|
| Name | #2;POLYGALASAPONIN-L;2-BETA,27-DIHYDROXY-3-O-BETA-D-GLUCOPYRANOSYL-11-OXO-OLEAN-12-EN-23,28-DIOIC-ACID-28-O-BETA-D-GALACTOPYRANOSYL-(1->5)-BETA-D-APIOFURANOSYL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H100O34 |
| InChI | InChI=1S/C64H100O34/c1-23-33(70)39(76)46(96-52-44(81)40(77)45(24(2)91-52)95-50-41(78)36(73)31(19-87-50)94-55-48(82)64(86,22-89-55)21-88-51-42(79)37(74)34(71)29(17-65)92-51)54(90-23)98-57(85)62-11-10-58(3,4)15-26(62)25-14-27(68)47-59(5)16-28(69)49(97-53-43(80)38(75)35(72)30(18-66)93-53)61(7,56(83)84)32(59)8-9-60(47,6)63(25,20-67)13-12-62/h14,23-24,26,28-55,65-67,69-82,86H,8-13,15-22H2,1-7H3,(H,83,84)/t23-,24+,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-,59+,60-,61+,62+,63+,64+/m1/s1 |
| InChIKey | POOABRCSZIFIRN-ZXHHLGLRSA-N |
| Literature Reference Author | J.FU,L.ZUO,J.YANG,R.CHEN,D.ZHANG |
| Literature Reference Citation | PHYTOCHEM.,69,1617(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2008.01.010 |
| Molecular Weight | 1413.478 g/mol |
| Sample ID | 44113 |
| Solvent | C5D5N |