| SpectraBase Compound ID | BrXrFqEIFQm |
|---|---|
| InChI | InChI=1S/C33H50O7/c1-17(2)18(3)26(36)27(37)19(4)25-21(40-20(5)34)15-30(7)22-9-10-23-31(8,28(38)39)24(35)11-12-32(23)16-33(22,32)14-13-29(25,30)6/h17,19,21-25,27,35,37H,3,9-16H2,1-2,4-8H3,(H,38,39)/t19-,21-,22-,23-,24-,25-,27+,29+,30-,31-,32+,33-/m0/s1 |
| InChIKey | MFGGXMSNGODHMJ-AEHIQNLVSA-N |
| Mol Weight | 558.8 g/mol |
| Molecular Formula | C33H50O7 |
| Exact Mass | 558.355654 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ElVPdL8kgzl |
|---|---|
| Name | 16-ACETYL-3-BETA,22-BETA-DIHYDROXY-24-METHYLCYCLOART-24-(24A)-EN-23-ON-29-OIC_ACID |
| Compound Number | 27 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H50O7 |
| InChI | InChI=1S/C33H50O7/c1-17(2)18(3)26(36)27(37)19(4)25-21(40-20(5)34)15-30(7)22-9-10-23-31(8,28(38)39)24(35)11-12-32(23)16-33(22,32)14-13-29(25,30)6/h17,19,21-25,27,35,37H,3,9-16H2,1-2,4-8H3,(H,38,39)/t19-,21-,22-,23-,24-,25-,27+,29+,30-,31-,32+,33-/m0/s1 |
| InChIKey | MFGGXMSNGODHMJ-AEHIQNLVSA-N |
| Literature Reference Author | C.LONG,J.BECK,F.CANTAGREL,L.MARCOURT,L.VENDIER,B.DAVID,F.PLI SSON,F.DERGUINI,I.VA |
| Literature Reference Citation | J.NAT.PROD.,75,34(2012) |
| Literature Reference DOI | 10.1021/np200441h |
| Molecular Weight | 558.756 g/mol |
| Sample ID | 39739 |
| Solvent | CD3OD |