![28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-RHAMNOPYRANOSYL-(1->2)-[RHAMNOPYRANOSYL-(1->3)]-XYLOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER](/api/spectrum/C4WCZ48HfNJ/structure.png?h=300&w=458 "28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-RHAMNOPYRANOSYL-(1->2)-[RHAMNOPYRANOSYL-(1->3)]-XYLOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER")
| SpectraBase Compound ID | LmGoAzM8sYN |
|---|---|
| InChI | InChI=1S/C62H100O28/c1-24-36(69)39(72)42(75)53(83-24)87-47-31(66)23-82-55(90-56(78)62-17-16-57(3,4)18-27(62)26-10-11-33-59(7)14-13-34(67)58(5,6)32(59)12-15-60(33,8)61(26,9)19-35(62)68)49(47)89-54-44(77)48(45(25(2)84-54)85-50-40(73)37(70)28(63)20-79-50)88-52-43(76)46(30(65)22-81-52)86-51-41(74)38(71)29(64)21-80-51/h10,24-25,27-55,63-77H,11-23H2,1-9H3/t24-,25-,27?,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+/m0/s1 |
| InChIKey | BCHIXOIIDBNCCU-GZDWHNDNSA-N |
| Mol Weight | 1293.5 g/mol |
| Molecular Formula | C62H100O28 |
| Exact Mass | 1292.640113 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C4WCZ48HfNJ |
|---|---|
| Name | 28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-RHAMNOPYRANOSYL-(1->2)-[RHAMNOPYRANOSYL-(1->3)]-XYLOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H100O28 |
| InChI | InChI=1S/C62H100O28/c1-24-36(69)39(72)42(75)53(83-24)87-47-31(66)23-82-55(90-56(78)62-17-16-57(3,4)18-27(62)26-10-11-33-59(7)14-13-34(67)58(5,6)32(59)12-15-60(33,8)61(26,9)19-35(62)68)49(47)89-54-44(77)48(45(25(2)84-54)85-50-40(73)37(70)28(63)20-79-50)88-52-43(76)46(30(65)22-81-52)86-51-41(74)38(71)29(64)21-80-51/h10,24-25,27-55,63-77H,11-23H2,1-9H3/t24-,25-,27?,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+/m0/s1 |
| InChIKey | BCHIXOIIDBNCCU-GZDWHNDNSA-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 | 1293.459 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1014 |