| SpectraBase Compound ID | DDMJJ4p0JFn |
|---|---|
| InChI | InChI=1S/C60H90O7/c1-49(2)25-29-59(31-27-55(9)37(39(59)33-49)13-15-43-51(5)21-19-45(63)53(7,35-61)41(51)17-23-57(43,55)11)47(65)67-48(66)60-30-26-50(3,4)34-40(60)38-14-16-44-52(6)22-20-46(64)54(8,36-62)42(52)18-24-58(44,12)56(38,10)28-32-60/h13-16,41-46,61-64H,17-36H2,1-12H3/t41-,42-,43-,44-,45-,46-,51+,52+,53+,54+,55-,56-,57-,58-,59+,60+/m1/s1 |
| InChIKey | LFOGUDTXRGAZLK-KKEMOTSPSA-N |
| Mol Weight | 923.4 g/mol |
| Molecular Formula | C60H90O7 |
| Exact Mass | 922.668655 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3VE6qIo754W |
|---|---|
| Name | 3-ALPHA,23-DIHYDROXY-OLEAN-11,13(18)-DIEN-28-OIC-ANHYDRIDE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H90O7 |
| InChI | InChI=1S/C60H90O7/c1-49(2)25-29-59(31-27-55(9)37(39(59)33-49)13-15-43-51(5)21-19-45(63)53(7,35-61)41(51)17-23-57(43,55)11)47(65)67-48(66)60-30-26-50(3,4)34-40(60)38-14-16-44-52(6)22-20-46(64)54(8,36-62)42(52)18-24-58(44,12)56(38,10)28-32-60/h13-16,41-46,61-64H,17-36H2,1-12H3/t41-,42-,43-,44-,45-,46-,51+,52+,53+,54+,55-,56-,57-,58-,59+,60+/m1/s1 |
| InChIKey | LFOGUDTXRGAZLK-KKEMOTSPSA-N |
| Literature Reference Author | S.Y.CHENG,C.M.WANG,H.L.CHENG,H.J.CHEN,Y.M.HSU,Y.C.LIN,C.H.CH OU |
| Literature Reference Citation | MOLECULES,18,13003(2013) |
| Literature Reference DOI | 10.3390/molecules181013003 |
| Molecular Weight | 923.370 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR9813 |