| SpectraBase Compound ID | IAPcmaEROqe |
|---|---|
| InChI | InChI=1S/C29H46O4/c1-18(19(2)31)7-8-20-11-13-28(5)21(15-20)9-10-24-26(3)16-22(32)25(33)27(4,17-30)23(26)12-14-29(24,28)6/h9,15,18,22-25,30,32-33H,7-8,10-14,16-17H2,1-6H3/t18?,22-,23-,24-,25+,26+,27+,28-,29-/m1/s1 |
| InChIKey | CLYJOENFDBUFKF-VNELTPHNSA-N |
| Mol Weight | 458.7 g/mol |
| Molecular Formula | C29H46O4 |
| Exact Mass | 458.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | EMVSfMrLjc8 |
|---|---|
| Name | 2-ALPHA,3-BETA,23-TRIHYDROXY-19-OXO-18,19-SECO-12,17-DIEN-28-NORURSANE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H46O4 |
| InChI | InChI=1S/C29H46O4/c1-18(19(2)31)7-8-20-11-13-28(5)21(15-20)9-10-24-26(3)16-22(32)25(33)27(4,17-30)23(26)12-14-29(24,28)6/h9,15,18,22-25,30,32-33H,7-8,10-14,16-17H2,1-6H3/t18?,22-,23-,24-,25+,26+,27+,28-,29-/m1/s1 |
| InChIKey | CLYJOENFDBUFKF-VNELTPHNSA-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 | 458.682 g/mol |
| Sample ID | 37277 |
| Solvent | C5D5N |