| SpectraBase Compound ID | 2xxIp9Y0Iae |
|---|---|
| InChI | InChI=1S/C53H86O22/c1-23-32(58)41(74-44-38(64)36(62)40(28(20-55)71-44)73-43-37(63)35(61)34(60)27(19-54)70-43)39(65)45(69-23)75-42-33(59)26(57)21-68-46(42)72-31-11-12-49(4)29(50(31,5)22-56)10-13-52(7)30(49)9-8-24-25-18-48(2,3)14-16-53(25,47(66)67)17-15-51(24,52)6/h8,23,25-46,54-65H,9-22H2,1-7H3,(H,66,67)/t23-,25?,26-,27-,28+,29?,30?,31-,32-,33-,34-,35+,36+,37-,38+,39+,40+,41+,42+,43+,44-,45+,46+,49-,50-,51+,52+,53-/m0/s1 |
| InChIKey | KPDVIKCSTOVVEA-LTGXXVLFSA-N |
| Mol Weight | 1075.2 g/mol |
| Molecular Formula | C53H86O22 |
| Exact Mass | 1074.561074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I0pxv3QWrOE |
|---|---|
| Name | HEDERAGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H86O22 |
| InChI | InChI=1S/C53H86O22/c1-23-32(58)41(74-44-38(64)36(62)40(28(20-55)71-44)73-43-37(63)35(61)34(60)27(19-54)70-43)39(65)45(69-23)75-42-33(59)26(57)21-68-46(42)72-31-11-12-49(4)29(50(31,5)22-56)10-13-52(7)30(49)9-8-24-25-18-48(2,3)14-16-53(25,47(66)67)17-15-51(24,52)6/h8,23,25-46,54-65H,9-22H2,1-7H3,(H,66,67)/t23-,25?,26-,27-,28+,29?,30?,31-,32-,33-,34-,35+,36+,37-,38+,39+,40+,41+,42+,43+,44-,45+,46+,49-,50-,51+,52+,53-/m0/s1 |
| InChIKey | KPDVIKCSTOVVEA-LTGXXVLFSA-N |
| Literature Reference Author | K.Y.JUNG,J.C.DO,K.H.SON |
| Literature Reference Citation | J.NAT.PROD.,56,1912(1993) |
| Literature Reference DOI | 10.1021/np50101a007 |
| Molecular Weight | 1075.253 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCS5172 |