| SpectraBase Compound ID | 69qqoW9pl8l |
|---|---|
| InChI | InChI=1S/C65H106O31/c1-25-36(70)41(75)45(79)54(87-25)93-50-31(21-67)90-53(48(82)44(50)78)86-23-32-40(74)43(77)47(81)56(91-32)96-59(84)65-17-15-60(3,4)19-28(65)27-9-10-34-61(5)13-12-35(62(6,24-68)33(61)11-14-64(34,8)63(27,7)16-18-65)92-58-52(38(72)29(69)22-85-58)95-57-49(83)51(37(71)26(2)88-57)94-55-46(80)42(76)39(73)30(20-66)89-55/h9,25-26,28-58,66-83H,10-24H2,1-8H3/t25-,26+,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+,56+,57+,58+,61+,62+,63-,64-,65+/m1/s1 |
| InChIKey | SDOYPCMINZZTMA-RENYCPLJSA-N |
| Mol Weight | 1383.5 g/mol |
| Molecular Formula | C65H106O31 |
| Exact Mass | 1382.671807 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JZiOIvhqfaR |
|---|---|
| Name | #3;PATRINIA-SAPONIN-H3;3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-HEDERAGENIN-28-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C65H106O31 |
| InChI | InChI=1S/C65H106O31/c1-25-36(70)41(75)45(79)54(87-25)93-50-31(21-67)90-53(48(82)44(50)78)86-23-32-40(74)43(77)47(81)56(91-32)96-59(84)65-17-15-60(3,4)19-28(65)27-9-10-34-61(5)13-12-35(62(6,24-68)33(61)11-14-64(34,8)63(27,7)16-18-65)92-58-52(38(72)29(69)22-85-58)95-57-49(83)51(37(71)26(2)88-57)94-55-46(80)42(76)39(73)30(20-66)89-55/h9,25-26,28-58,66-83H,10-24H2,1-8H3/t25-,26+,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+,56+,57+,58+,61+,62+,63-,64-,65+/m1/s1 |
| InChIKey | SDOYPCMINZZTMA-RENYCPLJSA-N |
| Literature Reference Author | S.S.KANG,J.S.KIM,Y.H.KIM,J.S.CHOI |
| Literature Reference Citation | J.NAT.PROD.,60,1060(1997) |
| Literature Reference DOI | 10.1021/np970175v |
| Molecular Weight | 1383.538 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWCS22678 |