![3-O-BETA-D-GALACTOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCURONOPYRANOSYL-GYPSOGENIN-28-O-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-XYLOP](/api/spectrum/2AkVCoLBBGz/structure.png?h=300&w=458 "3-O-BETA-D-GALACTOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCURONOPYRANOSYL-GYPSOGENIN-28-O-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-XYLOP")
| SpectraBase Compound ID | J9DRbpnfsew |
|---|---|
| InChI | InChI=1S/C80H122O42/c1-29-56(116-68-51(96)47(92)40(27-107-68)114-69-54(99)58(38(88)26-106-69)117-66-49(94)44(89)36(86)24-104-66)60(111-32(4)84)55(100)71(108-29)121-64-62(112-33(5)85)57(110-31(3)83)30(2)109-72(64)122-74(103)80-20-18-75(6,7)22-35(80)34-12-13-42-76(8)16-15-43(77(9,28-82)41(76)14-17-79(42,11)78(34,10)19-21-80)115-73-63(120-70-52(97)48(93)46(91)39(23-81)113-70)59(53(98)61(119-73)65(101)102)118-67-50(95)45(90)37(87)25-105-67/h12,28-30,35-64,66-73,81,86-100H,13-27H2,1-11H3,(H,101,102)/t29-,30+,35?,36+,37-,38+,39+,40-,41?,42?,43-,44-,45+,46-,47+,48-,49+,50-,51-,52+,53+,54+,55+,56-,57-,58-,59+,60-,61+,62-,63-,64+,66-,67+,68+,69-,70-,71-,72-,73-,76-,77-,78+,79+,80-/m0/s1 |
| InChIKey | PUHPPDLMRUDFLF-HYAIWOEISA-N |
| Mol Weight | 1755.8 g/mol |
| Molecular Formula | C80H122O42 |
| Exact Mass | 1754.741068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2AkVCoLBBGz |
|---|---|
| Name | 3-O-BETA-D-GALACTOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCURONOPYRANOSYL-GYPSOGENIN-28-O-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-XYLOP |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C80H122O42 |
| InChI | InChI=1S/C80H122O42/c1-29-56(116-68-51(96)47(92)40(27-107-68)114-69-54(99)58(38(88)26-106-69)117-66-49(94)44(89)36(86)24-104-66)60(111-32(4)84)55(100)71(108-29)121-64-62(112-33(5)85)57(110-31(3)83)30(2)109-72(64)122-74(103)80-20-18-75(6,7)22-35(80)34-12-13-42-76(8)16-15-43(77(9,28-82)41(76)14-17-79(42,11)78(34,10)19-21-80)115-73-63(120-70-52(97)48(93)46(91)39(23-81)113-70)59(53(98)61(119-73)65(101)102)118-67-50(95)45(90)37(87)25-105-67/h12,28-30,35-64,66-73,81,86-100H,13-27H2,1-11H3,(H,101,102)/t29-,30+,35?,36+,37-,38+,39+,40-,41?,42?,43-,44-,45+,46-,47+,48-,49+,50-,51-,52+,53+,54+,55+,56-,57-,58-,59+,60-,61+,62-,63-,64+,66-,67+,68+,69-,70-,71-,72-,73-,76-,77-,78+,79+,80-/m0/s1 |
| InChIKey | PUHPPDLMRUDFLF-HYAIWOEISA-N |
| Literature Reference Author | G.GAIDI,T.MIYAMOTO,A.RUSTAIYAN,M.A.LACAILLE-DUBOIS |
| Literature Reference Citation | J.NAT.PROD.,64,920(2001) |
| Literature Reference DOI | 10.1021/np010002c |
| Molecular Weight | 1755.823 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWSI1221 |