| SpectraBase Compound ID | 3PZFlTrZFT0 |
|---|---|
| InChI | InChI=1S/C21H34O6/c1-11(22)14-6-9-21(27)19(14,3)17(25)15(24)16-18(2)7-5-13(23)10-12(18)4-8-20(16,21)26/h4,11,13-17,22-27H,5-10H2,1-3H3/t11-,13-,14+,15-,16+,17+,18-,19-,20-,21+/m0/s1 |
| InChIKey | ZKHPKHVTGSOEKJ-OLVYBTIJSA-N |
| Mol Weight | 382.5 g/mol |
| Molecular Formula | C21H34O6 |
| Exact Mass | 382.235539 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CdkWDKaGQ3G |
|---|---|
| Name | MARSECTOHEXOL |
| Compound Number | A-9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H34O6 |
| InChI | InChI=1S/C21H34O6/c1-11(22)14-6-9-21(27)19(14,3)17(25)15(24)16-18(2)7-5-13(23)10-12(18)4-8-20(16,21)26/h4,11,13-17,22-27H,5-10H2,1-3H3/t11-,13-,14+,15-,16+,17+,18-,19-,20-,21+/m0/s1 |
| InChIKey | ZKHPKHVTGSOEKJ-OLVYBTIJSA-N |
| Literature Reference Author | F.ABE,H.FUJISHIMA,Y.IWASE,T.YAMAUCHI,K.KINJO,S.YAGA |
| Literature Reference Citation | CHEM.PHARM.BULL.,47,1128(1999) |
| Literature Reference DOI | 10.1248/cpb.47.1128 |
| Molecular Weight | 382.497 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU8164 |