| SpectraBase Compound ID | 7M7Otp20Yad |
|---|---|
| InChI | InChI=1S/C27H44O5/c1-13(2)11-27(32)12-14(3)19-21(27)24(31)20-18-16(7-9-26(19,20)5)25(4)8-6-15(28)10-17(25)22(29)23(18)30/h13-23,28-30,32H,6-12H2,1-5H3/t14-,15-,16+,17-,18-,19+,20+,21-,22-,23-,25-,26-,27-/m1/s1 |
| InChIKey | NXIUUQKBFNWMSY-YVVAEMNFSA-N |
| Mol Weight | 448.6 g/mol |
| Molecular Formula | C27H44O5 |
| Exact Mass | 448.318875 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KpsttdWF0Kd |
|---|---|
| Name | XESTOBERGSTEROL-A |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O5 |
| InChI | InChI=1S/C27H44O5/c1-13(2)11-27(32)12-14(3)19-21(27)24(31)20-18-16(7-9-26(19,20)5)25(4)8-6-15(28)10-17(25)22(29)23(18)30/h13-23,28-30,32H,6-12H2,1-5H3/t14-,15-,16+,17-,18-,19+,20+,21-,22-,23-,25-,26-,27-/m1/s1 |
| InChIKey | NXIUUQKBFNWMSY-YVVAEMNFSA-N |
| Literature Reference Author | J.KOBAYASHI,H.SHINONAGA,H.SHIGEMORI,A.UMEYAMA,N.SHOJI,S.ARIH ARA |
| Literature Reference Citation | J.NAT.PROD.,58,312(1995) |
| Literature Reference DOI | 10.1021/np50116a029 |
| Molecular Weight | 448.643 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWVP6231 |