![TRAGOPOGONSAPONIN-O;3-O-BETA-[4-O-METHYL-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[GLUCOPYRANOSYL-(1->3)-2-[3-GLUCOPYRANOSYL-(1->4)-PHENYL]-PR](/api/spectrum/1yo632eiowA/structure.png?h=300&w=458 "TRAGOPOGONSAPONIN-O;3-O-BETA-[4-O-METHYL-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[GLUCOPYRANOSYL-(1->3)-2-[3-GLUCOPYRANOSYL-(1->4)-PHENYL]-PR")
| SpectraBase Compound ID | JnFbroAviVl |
|---|---|
| InChI | InChI=1S/C63H94O26/c1-58(2)21-22-63(31(23-58)30-14-15-36-60(5)19-18-38(85-55-48(77)44(73)45(74)50(88-55)52(78)80-8)59(3,4)35(60)17-20-61(36,6)62(30,7)24-37(63)67)57(79)89-56-51(49(32(66)27-81-56)87-54-47(76)43(72)41(70)34(26-65)84-54)86-39(68)16-11-28-9-12-29(13-10-28)82-53-46(75)42(71)40(69)33(25-64)83-53/h9-10,12-14,31-38,40-51,53-56,64-67,69-77H,11,15-27H2,1-8H3/t31?,32-,33-,34-,35?,36?,37-,38+,40-,41-,42+,43+,44+,45+,46-,47-,48-,49+,50+,51-,53-,54+,55-,56+,60+,61-,62-,63-/m1/s1 |
| InChIKey | FNNCEERYBLUPTH-CBGIZXJWSA-N |
| Mol Weight | 1267.4 g/mol |
| Molecular Formula | C63H94O26 |
| Exact Mass | 1266.603333 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1yo632eiowA |
|---|---|
| Name | TRAGOPOGONSAPONIN-O;3-O-BETA-[4-O-METHYL-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-[GLUCOPYRANOSYL-(1->3)-2-[3-GLUCOPYRANOSYL-(1->4)-PHENYL]-PR |
| Compound Number | 174 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H94O26 |
| InChI | InChI=1S/C63H94O26/c1-58(2)21-22-63(31(23-58)30-14-15-36-60(5)19-18-38(85-55-48(77)44(73)45(74)50(88-55)52(78)80-8)59(3,4)35(60)17-20-61(36,6)62(30,7)24-37(63)67)57(79)89-56-51(49(32(66)27-81-56)87-54-47(76)43(72)41(70)34(26-65)84-54)86-39(68)16-11-28-9-12-29(13-10-28)82-53-46(75)42(71)40(69)33(25-64)83-53/h9-10,12-14,31-38,40-51,53-56,64-67,69-77H,11,15-27H2,1-8H3/t31?,32-,33-,34-,35?,36?,37-,38+,40-,41-,42+,43+,44+,45+,46-,47-,48-,49+,50+,51-,53-,54+,55-,56+,60+,61-,62-,63-/m1/s1 |
| InChIKey | FNNCEERYBLUPTH-CBGIZXJWSA-N |
| Literature Reference Author | N.TAN,J.ZHOU,S.ZHAO |
| Literature Reference Citation | PHYTOCHEM.,52,153(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00454-3 |
| Molecular Weight | 1267.424 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1070 |