| SpectraBase Compound ID | 67jp941Zf2i |
|---|---|
| InChI | InChI=1S/C30H51BrO7/c1-19(9-11-22(32)27(6)17-18-30(34,38-27)26(4,5)33)20-10-12-23-28(7,36-20)16-14-24(35-23)29(8)15-13-21(31)25(2,3)37-29/h20-24,32-34H,1,9-18H2,2-8H3/t20-,21-,22-,23-,24-,27+,28+,29+,30-/m1/s1 |
| InChIKey | WZRJTKGOXQHWCZ-UCJYGHBXSA-N |
| Mol Weight | 603.6 g/mol |
| Molecular Formula | C30H51BrO7 |
| Exact Mass | 602.281817 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HaaGIvOh0ZM |
|---|---|
| Name | 22-HYDROXY-15(28)-DEHYDRO-VENUSTATRIOL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H51BrO7 |
| InChI | InChI=1S/C30H51BrO7/c1-19(9-11-22(32)27(6)17-18-30(34,38-27)26(4,5)33)20-10-12-23-28(7,36-20)16-14-24(35-23)29(8)15-13-21(31)25(2,3)37-29/h20-24,32-34H,1,9-18H2,2-8H3/t20-,21-,22-,23-,24-,27+,28+,29+,30-/m1/s1 |
| InChIKey | WZRJTKGOXQHWCZ-UCJYGHBXSA-N |
| Literature Reference Author | F.C.PACHECO,J.A.VILLA-PULGARIN,F.MOLLINEDO,M.N.MARTIN,J.J.FE RNANDEZ,A.H.DARANAS |
| Literature Reference Citation | MAR.DRUGS,9,2220(2011) |
| Literature Reference DOI | 10.3390/md9112220 |
| Molecular Weight | 603.635 g/mol |
| Source File Reference | UWBT7063 |