| SpectraBase Compound ID | 2KjNt5yWjok |
|---|---|
| InChI | InChI=1S/C83H130O47/c1-14-29-51(30-27-25-23-21-19-17-15-16-18-20-22-24-26-28-31-106-33-58(77(104)105)112-44(7)90)119-80-72(129-79-65(103)70(115-47(10)93)67(113-45(8)91)55(123-79)36-109-41(4)87)64(102)66(52(32-84)120-80)126-82-75(118-50(13)96)74(117-49(12)95)69(57(125-82)38-111-43(6)89)127-83-76(73(116-48(11)94)68(114-46(9)92)56(124-83)37-110-42(5)88)130-81-71(62(100)60(98)54(122-81)35-108-40(3)86)128-78-63(101)61(99)59(97)53(121-78)34-107-39(2)85/h51-76,78-84,97-103H,14-38H2,1-13H3,(H,104,105)/t51-,52+,53+,54+,55+,56+,57+,58-,59+,60+,61-,62-,63+,64-,65+,66+,67+,68+,69+,70+,71+,72+,73-,74-,75+,76+,78-,79-,80+,81-,82-,83-/m1/s1 |
| InChIKey | HQHWXYHGCAUTOG-IQEGRPEKSA-N |
| Mol Weight | 1879.9 g/mol |
| Molecular Formula | C83H130O47 |
| Exact Mass | 1878.778241 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LUv4R07BpQe |
|---|---|
| Name | AGMINOSIDE_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C83H130O47 |
| InChI | InChI=1S/C83H130O47/c1-14-29-51(30-27-25-23-21-19-17-15-16-18-20-22-24-26-28-31-106-33-58(77(104)105)112-44(7)90)119-80-72(129-79-65(103)70(115-47(10)93)67(113-45(8)91)55(123-79)36-109-41(4)87)64(102)66(52(32-84)120-80)126-82-75(118-50(13)96)74(117-49(12)95)69(57(125-82)38-111-43(6)89)127-83-76(73(116-48(11)94)68(114-46(9)92)56(124-83)37-110-42(5)88)130-81-71(62(100)60(98)54(122-81)35-108-40(3)86)128-78-63(101)61(99)59(97)53(121-78)34-107-39(2)85/h51-76,78-84,97-103H,14-38H2,1-13H3,(H,104,105)/t51-,52+,53+,54+,55+,56+,57+,58-,59+,60+,61-,62-,63+,64-,65+,66+,67+,68+,69+,70+,71+,72+,73-,74-,75+,76+,78-,79-,80+,81-,82-,83-/m1/s1 |
| InChIKey | HQHWXYHGCAUTOG-IQEGRPEKSA-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 | 1879.917 g/mol |
| Sample ID | 37678 |
| Solvent | CD3OD |