| SpectraBase Compound ID | HrOt7vCZZvE |
|---|---|
| InChI | InChI=1S/C45H67NO5/c1-10-11-12-13-14-29(4)23-30(5)15-18-38(49)46-44(27-47)26-33-24-36(32(7)17-16-31(6)28(2)3)43(9)22-20-35-39(45(33,43)51)40(44)41(50)37-25-34(48)19-21-42(35,37)8/h15-18,23,25,27-29,31-36,48,51H,10-14,19-22,24,26H2,1-9H3,(H,46,49)/b17-16+,18-15+,30-23+/t29-,31-,32+,33+,34-,35-,36+,42+,43+,44-,45-/m0/s1 |
| InChIKey | TVFMBZOZGJABCW-DNZREWLKSA-N |
| Mol Weight | 702.0 g/mol |
| Molecular Formula | C45H67NO5 |
| Exact Mass | 701.501924 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ZrNpyG7x8T |
|---|---|
| Name | GYMNASTERONE_A |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H67NO5 |
| InChI | InChI=1S/C45H67NO5/c1-10-11-12-13-14-29(4)23-30(5)15-18-38(49)46-44(27-47)26-33-24-36(32(7)17-16-31(6)28(2)3)43(9)22-20-35-39(45(33,43)51)40(44)41(50)37-25-34(48)19-21-42(35,37)8/h15-18,23,25,27-29,31-36,48,51H,10-14,19-22,24,26H2,1-9H3,(H,46,49)/b17-16+,18-15+,30-23+/t29-,31-,32+,33+,34-,35-,36+,42+,43+,44-,45-/m0/s1 |
| InChIKey | TVFMBZOZGJABCW-DNZREWLKSA-N |
| Literature Reference Author | T.AMAGATA,M.TANAKA,T.YAMADA,M.DOI,K.MINOURA,H.OHISHI,T.YAMOR I,A.NUMATA |
| Literature Reference Citation | J.NAT.PROD.,70,1731(2007) |
| Literature Reference DOI | 10.1021/np070165m |
| Molecular Weight | 702.031 g/mol |
| Sample ID | 31020 |
| Solvent | CDCl3 |