| SpectraBase Compound ID | 97be0Ku8WUu |
|---|---|
| InChI | InChI=1S/C30H50O3/c1-18(2)9-8-10-19(3)20-13-14-28(7)22-12-11-21-26(4,5)24(32)23(31)25(33)30(21)17-29(22,30)16-15-27(20,28)6/h9,19-25,31-33H,8,10-17H2,1-7H3/t19-,20-,21+,22+,23+,24+,25+,27-,28+,29+,30-/m1/s1 |
| InChIKey | DATCMCBQCCLKRF-QMIHFCROSA-N |
| Mol Weight | 458.7 g/mol |
| Molecular Formula | C30H50O3 |
| Exact Mass | 458.375995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BVyGRScg4BE |
|---|---|
| Name | CYCLOARTAN-24-ENE-1-ALPHA,2-ALPHA,3-BETA-TRIOL |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H50O3 |
| InChI | InChI=1S/C30H50O3/c1-18(2)9-8-10-19(3)20-13-14-28(7)22-12-11-21-26(4,5)24(32)23(31)25(33)30(21)17-29(22,30)16-15-27(20,28)6/h9,19-25,31-33H,8,10-17H2,1-7H3/t19-,20-,21+,22+,23+,24+,25+,27-,28+,29+,30-/m1/s1 |
| InChIKey | DATCMCBQCCLKRF-QMIHFCROSA-N |
| Literature Reference Author | T.SHEN,H.Q.YUAN,W.Z.WAN,X.L.WANG,X.N.WANG,M.JI,H.X.LOU |
| Literature Reference Citation | J.NAT.PROD.,71,81(2008) |
| Literature Reference DOI | 10.1021/np070442p |
| Molecular Weight | 458.725 g/mol |
| Sample ID | 27211 |
| Solvent | CDCl3 |