| SpectraBase Compound ID | JiaaEycaACo |
|---|---|
| InChI | InChI=1S/C30H52O4/c1-18(2)10-9-13-30(8,34)19-11-15-28(6)24(19)20(31)16-22-27(5)14-12-23(33)26(3,4)25(27)21(32)17-29(22,28)7/h18-22,24-25,31-32,34H,9-17H2,1-8H3/t19-,20+,21-,22?,24-,25?,27+,28+,29+,30+/m0/s1 |
| InChIKey | VHENMKCNGPDEMN-SDMDBRAESA-N |
| Mol Weight | 476.7 g/mol |
| Molecular Formula | C30H52O4 |
| Exact Mass | 476.38656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2gw42HJ1PjL |
|---|---|
| Name | 6-ALPHA,12-BETA,20-S-TRIHYDROXY-DAMMARAN-3-ONE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H52O4 |
| InChI | InChI=1S/C30H52O4/c1-18(2)10-9-13-30(8,34)19-11-15-28(6)24(19)20(31)16-22-27(5)14-12-23(33)26(3,4)25(27)21(32)17-29(22,28)7/h18-22,24-25,31-32,34H,9-17H2,1-8H3/t19-,20+,21-,22?,24-,25?,27+,28+,29+,30+/m0/s1 |
| InChIKey | VHENMKCNGPDEMN-SDMDBRAESA-N |
| Literature Reference Author | K.C.WANG,P.H.WANG,S.S.LEE |
| Literature Reference Citation | J.NAT.PROD.,60,1236(1997) |
| Literature Reference DOI | 10.1021/np970331y |
| Molecular Weight | 476.740 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU352 |