| SpectraBase Compound ID | EokXiss9npl |
|---|---|
| InChI | InChI=1S/C71H116O36/c1-24-37(78)42(83)47(88)59(95-24)104-55-44(85)38(79)25(2)96-63(55)102-53-31(76)22-94-58(50(53)91)101-52-27(4)98-60(49(90)46(52)87)105-56-45(86)39(80)26(3)97-64(56)107-65(93)71-16-15-66(5,6)17-29(71)28-11-12-35-67(7)18-30(75)57(68(8,23-74)34(67)13-14-69(35,9)70(28,10)19-36(71)77)106-62-51(92)54(41(82)33(21-73)100-62)103-61-48(89)43(84)40(81)32(20-72)99-61/h11,24-27,29-64,72-92H,12-23H2,1-10H3/t24-,25+,26+,27-,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-,58+,59+,60-,61-,62-,63+,64-,67-,68-,69+,70+,71?/m0/s1 |
| InChIKey | OPXFQZAHGUCWAP-SODOKOQGSA-N |
| Mol Weight | 1545.7 g/mol |
| Molecular Formula | C71H116O36 |
| Exact Mass | 1544.72463 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | NcFQngvSdv |
|---|---|
| Name | VIRGAUREASAPONIN-3;3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-GLUCOPYRANOSYLPOLYGALACIC-ACID-28-O-BETA-D-FUCOPYRANOSL-(1->2)-ALPHA-L-RHAMNOPYRANOSYL-( |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C71H116O36 |
| InChI | InChI=1S/C71H116O36/c1-24-37(78)42(83)47(88)59(95-24)104-55-44(85)38(79)25(2)96-63(55)102-53-31(76)22-94-58(50(53)91)101-52-27(4)98-60(49(90)46(52)87)105-56-45(86)39(80)26(3)97-64(56)107-65(93)71-16-15-66(5,6)17-29(71)28-11-12-35-67(7)18-30(75)57(68(8,23-74)34(67)13-14-69(35,9)70(28,10)19-36(71)77)106-62-51(92)54(41(82)33(21-73)100-62)103-61-48(89)43(84)40(81)32(20-72)99-61/h11,24-27,29-64,72-92H,12-23H2,1-10H3/t24-,25+,26+,27-,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-,58+,59+,60-,61-,62-,63+,64-,67-,68-,69+,70+,71?/m0/s1 |
| InChIKey | OPXFQZAHGUCWAP-SODOKOQGSA-N |
| Literature Reference Author | G.BADER,V.WRAY,K.HILLER |
| Literature Reference Citation | PHYTOCHEM.,31,621(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)90047-T |
| Molecular Weight | 1545.680 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU6145 |