| SpectraBase Compound ID | CIs7adCvXra |
|---|---|
| InChI | InChI=1S/C30H46O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-21,23,31,33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18?,19?,20+,21?,23-,26-,27-,28+,29-,30+/m1/s1 |
| InChIKey | DOADEZLVINXRRP-PCOMEVARSA-N |
| Mol Weight | 502.7 g/mol |
| Molecular Formula | C30H46O6 |
| Exact Mass | 502.329439 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LEdt0A7AQoq |
|---|---|
| Name | 1-BETA,2-ALPHA,19-ALPHA-TRIHYDROXY-3-OXO-12-URSEN-28-OIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H46O6 |
| InChI | InChI=1S/C30H46O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-21,23,31,33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18?,19?,20+,21?,23-,26-,27-,28+,29-,30+/m1/s1 |
| InChIKey | DOADEZLVINXRRP-PCOMEVARSA-N |
| Literature Reference Author | T.H.LEE,S.S.LEE,Y.C.KUO,C.H.CHOU |
| Literature Reference Citation | J.NAT.PROD.,64,865(2001) |
| Literature Reference DOI | 10.1021/np0100237 |
| Molecular Weight | 502.692 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSI1330 |