| SpectraBase Compound ID | DIVT4uHaVO0 |
|---|---|
| InChI | InChI=1S/C72H116O25/c1-10-13-15-16-17-18-21-24-32-38-50(74)92-66-65(97-68-56(80)54(78)52(76)42(5)84-68)61(94-69-57(81)62(59(44(7)86-69)93-67(83)41(4)12-3)91-51(75)40-39-47-33-28-26-29-34-47)46(9)88-72(66)95-60-45(8)87-70-58(82)63(60)90-49(73)37-31-25-22-19-20-23-30-36-48(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 | NDKPFZJXDUTDOW-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 | GCDPRvkxtXf |
|---|---|
| Name | PESCAPREIN_XXI;(11-S)-JALAPINOLIC_ACID_11-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O- |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C72H116O25 |
| InChI | InChI=1S/C72H116O25/c1-10-13-15-16-17-18-21-24-32-38-50(74)92-66-65(97-68-56(80)54(78)52(76)42(5)84-68)61(94-69-57(81)62(59(44(7)86-69)93-67(83)41(4)12-3)91-51(75)40-39-47-33-28-26-29-34-47)46(9)88-72(66)95-60-45(8)87-70-58(82)63(60)90-49(73)37-31-25-22-19-20-23-30-36-48(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 | NDKPFZJXDUTDOW-DBNCBCOUSA-N |
| Literature Reference Author | B.W.YU,J.G.LUO,J.S.WANG,D.M.ZHANG,S.S.YU,L.Y.KONG |
| Literature Reference Citation | J.NAT.PROD.,74,620(2011) |
| Literature Reference DOI | 10.1021/np100640f |
| Molecular Weight | 1381.698 g/mol |
| Sample ID | 37381 |
| Solvent | C5D5N |