| SpectraBase Compound ID | DKURVxItw9i |
|---|---|
| InChI | InChI=1S/C29H46O3/c1-17-7-8-19-11-13-28(5)20(24(19)18(17)2)9-10-23-26(3)15-21(31)25(32)27(4,16-30)22(26)12-14-29(23,28)6/h9,17-18,21-23,25,30-32H,7-8,10-16H2,1-6H3/t17-,18+,21-,22-,23-,25+,26+,27+,28-,29-/m1/s1 |
| InChIKey | RATDBJVTTWMKNB-PRDJCCBUSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C29H46O3 |
| Exact Mass | 442.344695 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8yPI1VcwQhI |
|---|---|
| Name | 2-ALPHA,3-BETA,23-TRIHYDROXY-12,17-DIEN-28-NORURSANE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H46O3 |
| InChI | InChI=1S/C29H46O3/c1-17-7-8-19-11-13-28(5)20(24(19)18(17)2)9-10-23-26(3)15-21(31)25(32)27(4,16-30)22(26)12-14-29(23,28)6/h9,17-18,21-23,25,30-32H,7-8,10-16H2,1-6H3/t17-,18+,21-,22-,23-,25+,26+,27+,28-,29-/m1/s1 |
| InChIKey | RATDBJVTTWMKNB-PRDJCCBUSA-N |
| Literature Reference Author | N.ZENG,Y.SHEN,L.Z.LI,W.H.JIAO,P.Y.GAO,S.J.SONG,W.S.CHEN,H.W. LIN |
| Literature Reference Citation | J.NAT.PROD.,74,732(2011) |
| Literature Reference DOI | 10.1021/np1007922 |
| Molecular Weight | 442.682 g/mol |
| Sample ID | 37278 |
| Solvent | C5D5N |