| SpectraBase Compound ID | Je5CIvgnt8C |
|---|---|
| InChI | InChI=1S/C29H52O5/c1-16(2)18(10-13-30)7-6-17(3)24-26(33)27(34)25-20-15-23(32)22-14-19(31)8-11-28(22,4)21(20)9-12-29(24,25)5/h16-27,30-34H,6-15H2,1-5H3/t17-,18+,19+,20-,21?,22-,23+,24+,25?,26-,27+,28-,29-/m1/s1 |
| InChIKey | CQDRJWAYTUMGAI-VFFLZKIGSA-N |
| Mol Weight | 480.7 g/mol |
| Molecular Formula | C29H52O5 |
| Exact Mass | 480.381475 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LBAWN9Frydq |
|---|---|
| Name | CERTONARDOSTEROL_N1;(24R)-24-ETHYL-5-ALPHA-CHOLESTANE-3-BETA,6-ALPHA,15-BETA,16-BETA,24(2)-PENTOL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H52O5 |
| InChI | InChI=1S/C29H52O5/c1-16(2)18(10-13-30)7-6-17(3)24-26(33)27(34)25-20-15-23(32)22-14-19(31)8-11-28(22,4)21(20)9-12-29(24,25)5/h16-27,30-34H,6-15H2,1-5H3/t17-,18+,19+,20-,21?,22-,23+,24+,25?,26-,27+,28-,29-/m1/s1 |
| InChIKey | CQDRJWAYTUMGAI-VFFLZKIGSA-N |
| Literature Reference Author | W.WANG,J.HONG,C.O.LEE,K.S.IM,J.S.CHOI,J.H.JUNG |
| Literature Reference Citation | J.NAT.PROD.,67,584(2004) |
| Literature Reference DOI | 10.1021/np030427u |
| Molecular Weight | 480.729 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ5676 |