| SpectraBase Compound ID | 44GUDkoJj0p |
|---|---|
| InChI | InChI=1S/C72H116O25/c1-10-13-15-16-17-18-21-24-31-37-49(73)90-59-44(7)86-69(57(81)62(59)92-51(75)40-39-47-33-28-26-29-34-47)94-61-46(9)88-72(66(93-67(83)41(4)12-3)65(61)97-68-56(80)54(78)52(76)42(5)84-68)95-60-45(8)87-70-58(82)63(60)91-50(74)38-32-25-22-19-20-23-30-36-48(35-27-14-11-2)89-71-64(96-70)55(79)53(77)43(6)85-71/h26,28-29,33-34,39-46,48,52-66,68-72,76-82H,10-25,27,30-32,35-38H2,1-9H3/b40-39+/t41-,42+,43-,44+,45+,46+,48+,52+,53+,54-,55+,56-,57-,58-,59+,60+,61+,62+,63+,64-,65-,66-,68+,69+,70+,71+,72+/m1/s1 |
| InChIKey | GBPUSRJGDAIDBE-DBNCBCOUSA-N |
| Mol Weight | 1381.7 g/mol |
| Molecular Formula | C72H116O25 |
| Exact Mass | 1380.780569 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AQ8UE2QVJe3 |
|---|---|
| Name | BATATINOSIDE_I |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C72H116O25 |
| InChI | InChI=1S/C72H116O25/c1-10-13-15-16-17-18-21-24-31-37-49(73)90-59-44(7)86-69(57(81)62(59)92-51(75)40-39-47-33-28-26-29-34-47)94-61-46(9)88-72(66(93-67(83)41(4)12-3)65(61)97-68-56(80)54(78)52(76)42(5)84-68)95-60-45(8)87-70-58(82)63(60)91-50(74)38-32-25-22-19-20-23-30-36-48(35-27-14-11-2)89-71-64(96-70)55(79)53(77)43(6)85-71/h26,28-29,33-34,39-46,48,52-66,68-72,76-82H,10-25,27,30-32,35-38H2,1-9H3/b40-39+/t41-,42+,43-,44+,45+,46+,48+,52+,53+,54-,55+,56-,57-,58-,59+,60+,61+,62+,63+,64-,65-,66-,68+,69+,70+,71+,72+/m1/s1 |
| InChIKey | GBPUSRJGDAIDBE-DBNCBCOUSA-N |
| Literature Reference Author | E.ESCALANTE-SANCHEZ,R.PEREDA-MIRANDA |
| Literature Reference Citation | J.NAT.PROD.,70,1029(2007) |
| Literature Reference DOI | 10.1021/np070093z |
| Molecular Weight | 1381.698 g/mol |
| Sample ID | 30559 |
| Solvent | C5D5N |