![3-O-BETA-D-XYLOPYRANOSYL-ASTRANTIASAPONIN-VII;3-O-[BETA-D-XYLOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL]-3-BETA,23-D](/api/spectrum/El1jjY7kOqw/structure.png?h=300&w=458 "3-O-BETA-D-XYLOPYRANOSYL-ASTRANTIASAPONIN-VII;3-O-[BETA-D-XYLOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL]-3-BETA,23-D")
| SpectraBase Compound ID | ATABwoSz0oG |
|---|---|
| InChI | InChI=1S/C64H104O30/c1-25-36(69)42(75)47(80)54(86-25)93-51-44(77)41(74)32(23-85-52-46(79)43(76)40(73)31(20-65)88-52)89-57(51)94-58(82)64-17-15-59(3,4)19-28(64)27-9-10-34-60(5)13-12-35(61(6,24-66)33(60)11-14-63(34,8)62(27,7)16-18-64)90-56-50(39(72)30(68)22-84-56)92-55-48(81)49(37(70)26(2)87-55)91-53-45(78)38(71)29(67)21-83-53/h9,25-26,28-57,65-81H,10-24H2,1-8H3/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-,57-,60-,61-,62+,63+,64-/m0/s1 |
| InChIKey | GTUICKMHVRKDMF-BYFQXQRVSA-N |
| Mol Weight | 1353.5 g/mol |
| Molecular Formula | C64H104O30 |
| Exact Mass | 1352.661242 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | El1jjY7kOqw |
|---|---|
| Name | 3-O-BETA-D-XYLOPYRANOSYL-ASTRANTIASAPONIN-VII;3-O-[BETA-D-XYLOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL]-3-BETA,23-D |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H104O30 |
| InChI | InChI=1S/C64H104O30/c1-25-36(69)42(75)47(80)54(86-25)93-51-44(77)41(74)32(23-85-52-46(79)43(76)40(73)31(20-65)88-52)89-57(51)94-58(82)64-17-15-59(3,4)19-28(64)27-9-10-34-60(5)13-12-35(61(6,24-66)33(60)11-14-63(34,8)62(27,7)16-18-64)90-56-50(39(72)30(68)22-84-56)92-55-48(81)49(37(70)26(2)87-55)91-53-45(78)38(71)29(67)21-83-53/h9,25-26,28-57,65-81H,10-24H2,1-8H3/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-,57-,60-,61-,62+,63+,64-/m0/s1 |
| InChIKey | GTUICKMHVRKDMF-BYFQXQRVSA-N |
| Literature Reference Author | C.LAVAUD,M.L.CRUBLET,I.POUNY,M.LITAUDON,T.SEVENET |
| Literature Reference Citation | PHYTOCHEM.,57,469(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00063-2 |
| Molecular Weight | 1353.512 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN2234 |