| SpectraBase Compound ID | ACWyF8fUwPk |
|---|---|
| InChI | InChI=1S/C65H106O24/c1-31-53(68)59(74-15)60(82-38(8)66)61(80-31)86-56-34(4)78-51(27-46(56)72-13)84-54-32(2)76-50(25-44(54)70-11)83-55-33(3)77-52(26-45(55)71-12)85-57-36(6)87-64(29-48(57)73-14)30-75-47-28-49(79-35(5)58(47)88-89-64)81-37(7)65(69)23-20-43-41-17-16-39-24-40(67)18-21-62(39,9)42(41)19-22-63(43,65)10/h16,31-37,40-61,67-69H,17-30H2,1-15H3/t31-,32-,33+,34+,35-,36+,37?,40+,41-,42+,43+,44+,45-,46-,47-,48+,49+,50+,51-,52-,53+,54-,55+,56+,57+,58-,59+,60-,61+,62+,63+,64-,65?/m1/s1 |
| InChIKey | JRBMXUSQGKDVNO-SWHDEUJWSA-N |
| Mol Weight | 1271.5 g/mol |
| Molecular Formula | C65H106O24 |
| Exact Mass | 1270.707404 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IVAk07xrPV8 |
|---|---|
| Name | DELTA(5)-PREGNENE-3-BETA,17-ALPHA,20(S)-TRIOL-20-O-(2-O-ACETYL-BETA-D-DIGITALOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C65H106O24 |
| InChI | InChI=1S/C65H106O24/c1-31-53(68)59(74-15)60(82-38(8)66)61(80-31)86-56-34(4)78-51(27-46(56)72-13)84-54-32(2)76-50(25-44(54)70-11)83-55-33(3)77-52(26-45(55)71-12)85-57-36(6)87-64(29-48(57)73-14)30-75-47-28-49(79-35(5)58(47)88-89-64)81-37(7)65(69)23-20-43-41-17-16-39-24-40(67)18-21-62(39,9)42(41)19-22-63(43,65)10/h16,31-37,40-61,67-69H,17-30H2,1-15H3/t31-,32-,33+,34+,35-,36+,37?,40+,41-,42+,43+,44+,45-,46-,47-,48+,49+,50+,51-,52-,53+,54-,55+,56+,57+,58-,59+,60-,61+,62+,63+,64-,65?/m1/s1 |
| InChIKey | JRBMXUSQGKDVNO-SWHDEUJWSA-N |
| Literature Reference Author | H.ITOKAWA,J.XU,K.TAKEYA |
| Literature Reference Citation | CHEM.PHARM.BULL.,36,2084(1988) |
| Literature Reference DOI | 10.1248/cpb.36.2084 |
| Molecular Weight | 1271.542 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBK1235 |