| SpectraBase Compound ID | JmrRe400O8z |
|---|---|
| InChI | InChI=1S/C30H48O2/c1-20(19-31)9-8-10-21(2)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h9,11,19,21-23,25-26,32H,8,10,12-18H2,1-7H3/b20-9+/t21-,22-,23+,25+,26+,28-,29-,30+/m1/s1 |
| InChIKey | CXPKYCXFLMPMEZ-XZJOZCMKSA-N |
| Mol Weight | 440.7 g/mol |
| Molecular Formula | C30H48O2 |
| Exact Mass | 440.365431 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5MQnDkbVTgW |
|---|---|
| Name | KIUSIANIN-A;3-BETA-HYDROXY-LANOSTANE-7,(24E)-DIEN-26-AL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48O2 |
| InChI | InChI=1S/C30H48O2/c1-20(19-31)9-8-10-21(2)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h9,11,19,21-23,25-26,32H,8,10,12-18H2,1-7H3/b20-9+/t21-,22-,23+,25+,26+,28-,29-,30+/m1/s1 |
| InChIKey | CXPKYCXFLMPMEZ-XZJOZCMKSA-N |
| Literature Reference Author | M.SHIMADA,M.OZAWA,K.IWAMOTO,Y.FUKUYAMA,A.KISHIDA,A.OHSAKI |
| Literature Reference Citation | CHEM.PHARM.BULL.,62,937(2014) |
| Literature Reference DOI | 10.1248/cpb.c14-00200 |
| Molecular Weight | 440.710 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT13934 |