| SpectraBase Compound ID | B462eUBFm5l |
|---|---|
| InChI | InChI=1S/C81H128O46/c1-13-28-49(29-26-24-22-20-18-16-14-15-17-19-21-23-25-27-30-104-32-50(94)75(102)103)116-78-70(126-77-63(101)68(112-45(9)90)65(110-43(7)88)54(120-77)35-107-40(4)85)62(100)64(51(31-82)117-78)123-80-73(115-48(12)93)72(114-47(11)92)67(56(122-80)37-109-42(6)87)124-81-74(71(113-46(10)91)66(111-44(8)89)55(121-81)36-108-41(5)86)127-79-69(60(98)58(96)53(119-79)34-106-39(3)84)125-76-61(99)59(97)57(95)52(118-76)33-105-38(2)83/h49-74,76-82,94-101H,13-37H2,1-12H3,(H,102,103)/t49-,50-,51+,52+,53+,54+,55+,56+,57+,58+,59-,60-,61+,62-,63+,64+,65+,66+,67+,68+,69+,70+,71-,72-,73+,74+,76-,77-,78+,79-,80-,81-/m1/s1 |
| InChIKey | WMBHNFQATWFKSM-UAUOJTDASA-N |
| Mol Weight | 1837.9 g/mol |
| Molecular Formula | C81H128O46 |
| Exact Mass | 1836.767677 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Xrt0Z9kBgy |
|---|---|
| Name | AGMINOSIDE_C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C81H128O46 |
| InChI | InChI=1S/C81H128O46/c1-13-28-49(29-26-24-22-20-18-16-14-15-17-19-21-23-25-27-30-104-32-50(94)75(102)103)116-78-70(126-77-63(101)68(112-45(9)90)65(110-43(7)88)54(120-77)35-107-40(4)85)62(100)64(51(31-82)117-78)123-80-73(115-48(12)93)72(114-47(11)92)67(56(122-80)37-109-42(6)87)124-81-74(71(113-46(10)91)66(111-44(8)89)55(121-81)36-108-41(5)86)127-79-69(60(98)58(96)53(119-79)34-106-39(3)84)125-76-61(99)59(97)57(95)52(118-76)33-105-38(2)83/h49-74,76-82,94-101H,13-37H2,1-12H3,(H,102,103)/t49-,50-,51+,52+,53+,54+,55+,56+,57+,58+,59-,60-,61+,62-,63+,64+,65+,66+,67+,68+,69+,70+,71-,72-,73+,74+,76-,77-,78+,79-,80-,81-/m1/s1 |
| InChIKey | WMBHNFQATWFKSM-UAUOJTDASA-N |
| Literature Reference Author | J.M.WOJNAR,P.T.NORTHCOTE |
| Literature Reference Citation | J.NAT.PROD.,74,69(2011) |
| Literature Reference DOI | 10.1021/np100710c |
| Molecular Weight | 1837.880 g/mol |
| Sample ID | 37680 |
| Solvent | CD3OD |