| SpectraBase Compound ID | 7CL2X0G7bqB |
|---|---|
| InChI | InChI=1S/C27H44O6/c1-12(2)9-27(33)10-13(3)19-21(27)24(32)20-18-14(6-7-25(19,20)4)26(5)11-17(29)16(28)8-15(26)22(30)23(18)31/h12-23,28-31,33H,6-11H2,1-5H3/t13-,14+,15-,16+,17+,18-,19+,20+,21-,22-,23-,25-,26-,27-/m1/s1 |
| InChIKey | IDHRDQMFJYOCOC-IPKCJDDUSA-N |
| Mol Weight | 464.6 g/mol |
| Molecular Formula | C27H44O6 |
| Exact Mass | 464.313789 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 98RiR40aaz8 |
|---|---|
| Name | XESTOBERGSTEROL-C |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O6 |
| InChI | InChI=1S/C27H44O6/c1-12(2)9-27(33)10-13(3)19-21(27)24(32)20-18-14(6-7-25(19,20)4)26(5)11-17(29)16(28)8-15(26)22(30)23(18)31/h12-23,28-31,33H,6-11H2,1-5H3/t13-,14+,15-,16+,17+,18-,19+,20+,21-,22-,23-,25-,26-,27-/m1/s1 |
| InChIKey | IDHRDQMFJYOCOC-IPKCJDDUSA-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 | 464.643 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWVP6230 |