![MS-1;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[ARABINOPYRANOSYL-(1->3)]-GLUCURONOPYRANOSYL]-GYPSOGENIN-28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RH](/api/spectrum/6zCv5M8UJlF/structure.png?h=300&w=458 "MS-1;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[ARABINOPYRANOSYL-(1->3)]-GLUCURONOPYRANOSYL]-GYPSOGENIN-28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RH")
| SpectraBase Compound ID | Gdtcl63HLTl |
|---|---|
| InChI | InChI=1S/C75H118O39/c1-26-38(81)42(85)47(90)64(102-26)112-58-50(93)54(108-65-49(92)44(87)53(27(2)103-65)107-63-52(95)55(33(80)24-101-63)109-61-45(88)39(82)31(78)22-99-61)28(3)104-67(58)114-69(98)75-18-16-70(4,5)20-30(75)29-10-11-36-71(6)14-13-37(72(7,25-77)35(71)12-15-74(36,9)73(29,8)17-19-75)106-68-59(113-66-48(91)43(86)41(84)34(21-76)105-66)56(51(94)57(111-68)60(96)97)110-62-46(89)40(83)32(79)23-100-62/h10,25-28,30-59,61-68,76,78-95H,11-24H2,1-9H3,(H,96,97)/t26-,27+,28-,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-,61-,62+,63-,64+,65+,66-,67+,68-,71+,72+,73-,74-,75+/m1/s1 |
| InChIKey | BOBZTEBGRCMKOT-HIJAUYIUSA-N |
| Mol Weight | 1643.7 g/mol |
| Molecular Formula | C75H118O39 |
| Exact Mass | 1642.725024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6zCv5M8UJlF |
|---|---|
| Name | MS-1;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[ARABINOPYRANOSYL-(1->3)]-GLUCURONOPYRANOSYL]-GYPSOGENIN-28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RH |
| Compound Number | 69 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C75H118O39 |
| InChI | InChI=1S/C75H118O39/c1-26-38(81)42(85)47(90)64(102-26)112-58-50(93)54(108-65-49(92)44(87)53(27(2)103-65)107-63-52(95)55(33(80)24-101-63)109-61-45(88)39(82)31(78)22-99-61)28(3)104-67(58)114-69(98)75-18-16-70(4,5)20-30(75)29-10-11-36-71(6)14-13-37(72(7,25-77)35(71)12-15-74(36,9)73(29,8)17-19-75)106-68-59(113-66-48(91)43(86)41(84)34(21-76)105-66)56(51(94)57(111-68)60(96)97)110-62-46(89)40(83)32(79)23-100-62/h10,25-28,30-59,61-68,76,78-95H,11-24H2,1-9H3,(H,96,97)/t26-,27+,28-,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-,61-,62+,63-,64+,65+,66-,67+,68-,71+,72+,73-,74-,75+/m1/s1 |
| InChIKey | BOBZTEBGRCMKOT-HIJAUYIUSA-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 | 1643.739 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1340 |