| SpectraBase Compound ID | 400eTTYRLYp |
|---|---|
| InChI | InChI=1S/C65H106O32/c1-24-11-16-65(59(84)97-56-46(81)42(77)39(74)31(92-56)23-87-53-44(79)40(75)37(72)28(19-66)89-53)18-17-62(6)26(52(65)64(24,8)85)9-10-33-61(5)14-13-34(60(3,4)32(61)12-15-63(33,62)7)93-58-51(36(71)27(69)22-86-58)96-57-48(83)50(35(70)25(2)88-57)95-55-47(82)43(78)49(30(21-68)91-55)94-54-45(80)41(76)38(73)29(20-67)90-54/h9,24-25,27-58,66-83,85H,10-23H2,1-8H3/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+,56+,57+,58+,61+,62-,63-,64-,65+/m1/s1 |
| InChIKey | JLCCCJIGHPZGMX-WNLZGSSDSA-N |
| Mol Weight | 1399.5 g/mol |
| Molecular Formula | C65H106O32 |
| Exact Mass | 1398.666721 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LorBf2qtbB7 |
|---|---|
| Name | SCABIOSAPONIN-H;3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYLPOMOLIC-ACID-2 |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C65H106O32 |
| InChI | InChI=1S/C65H106O32/c1-24-11-16-65(59(84)97-56-46(81)42(77)39(74)31(92-56)23-87-53-44(79)40(75)37(72)28(19-66)89-53)18-17-62(6)26(52(65)64(24,8)85)9-10-33-61(5)14-13-34(60(3,4)32(61)12-15-63(33,62)7)93-58-51(36(71)27(69)22-86-58)96-57-48(83)50(35(70)25(2)88-57)95-55-47(82)43(78)49(30(21-68)91-55)94-54-45(80)41(76)38(73)29(20-67)90-54/h9,24-25,27-58,66-83,85H,10-23H2,1-8H3/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+,56+,57+,58+,61+,62-,63-,64-,65+/m1/s1 |
| InChIKey | JLCCCJIGHPZGMX-WNLZGSSDSA-N |
| Literature Reference Author | Q.ZHENG,K.KOIKE,L.K.HAN,H.OKUDA,T.NIKAIDO |
| Literature Reference Citation | J.NAT.PROD.,67,604(2004) |
| Literature Reference DOI | 10.1021/np0304722 |
| Molecular Weight | 1399.537 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ7432 |