| SpectraBase Compound ID | JAaGgqYDvv1 |
|---|---|
| InChI | InChI=1S/C70H110O27/c1-32-24-48(77-12)57(75)65(82-32)90-42-18-21-67(10)41(25-42)16-17-43-44(67)19-22-68(11)45(43)20-23-70(68,76)39(8)88-54-29-50-62(37(6)86-54)96-97-69(31-81-50)30-51(79-14)61(38(7)95-69)93-53-27-47(73)58(34(3)84-53)91-52-26-46(72)59(35(4)83-52)92-55-28-49(78-13)60(36(5)85-55)94-66-64(89-40(9)71)63(80-15)56(74)33(2)87-66/h16,24,32-39,42-47,49-56,58-66,72-74,76H,17-23,25-31H2,1-15H3/t32-,33-,34-,35+,36+,37+,38+,39-,42+,43-,44+,45+,46+,47+,49-,50+,51+,52-,53+,54-,55-,56+,58-,59+,60?,61+,62+,63+,64-,65+,66+,67+,68+,69-,70+/m1/s1 |
| InChIKey | NKGACJXDDCQRIG-SXIJVUEQSA-N |
| Mol Weight | 1383.6 g/mol |
| Molecular Formula | C70H110O27 |
| Exact Mass | 1382.723448 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KQQoFnPEyz8 |
|---|---|
| Name | #1;PERIPEROXIDE-A;PREGN-5-ENE-3-BETA,17-ALPHA,20S-TRIOL-3-O-(4,6-DIDEOXY-3-METHOXY-2-HEXOSULOSIDE-3-ENE)-20-O-2-O-ACETYL-BETA-DIGITALOPYRANOSYL-(1->4)-O-BETA-C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C70H110O27 |
| InChI | InChI=1S/C70H110O27/c1-32-24-48(77-12)57(75)65(82-32)90-42-18-21-67(10)41(25-42)16-17-43-44(67)19-22-68(11)45(43)20-23-70(68,76)39(8)88-54-29-50-62(37(6)86-54)96-97-69(31-81-50)30-51(79-14)61(38(7)95-69)93-53-27-47(73)58(34(3)84-53)91-52-26-46(72)59(35(4)83-52)92-55-28-49(78-13)60(36(5)85-55)94-66-64(89-40(9)71)63(80-15)56(74)33(2)87-66/h16,24,32-39,42-47,49-56,58-66,72-74,76H,17-23,25-31H2,1-15H3/t32-,33-,34-,35+,36+,37+,38+,39-,42+,43-,44+,45+,46+,47+,49-,50+,51+,52-,53+,54-,55-,56+,58-,59+,60?,61+,62+,63+,64-,65+,66+,67+,68+,69-,70+/m1/s1 |
| InChIKey | NKGACJXDDCQRIG-SXIJVUEQSA-N |
| Literature Reference Author | J.FENG,R.ZHANG,Y.ZHOU,Z.CHEN,W.TANG,Q.LIU,J.P.ZUO,W.ZHAO |
| Literature Reference Citation | PHYTOCHEM.,69,2716(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2008.08.015 |
| Molecular Weight | 1383.627 g/mol |
| Sample ID | 63139 |
| Solvent | CDCl3 |