| SpectraBase Compound ID | 1IqHZIfMbzB |
|---|---|
| InChI | InChI=1S/C28H46O9/c1-15-23(31)19(35-5)13-22(36-15)37-18-7-8-24(3)17(12-18)6-9-27(33)20(24)14-21(30)25(4)26(32,16(2)29)10-11-28(25,27)34/h6,15-16,18-23,29-34H,7-14H2,1-5H3/t15-,16+,18+,19+,20-,21-,22+,23-,24+,25-,26-,27+,28-/m1/s1 |
| InChIKey | ZFNMBNPTGIKSSQ-JJKFRMQOSA-N |
| Mol Weight | 526.7 g/mol |
| Molecular Formula | C28H46O9 |
| Exact Mass | 526.314183 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KzfqeNBpmpi |
|---|---|
| Name | SARCOSTIN_3-O-BETA-CYMAROPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2023 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H46O9 |
| InChI | InChI=1S/C28H46O9/c1-15-23(31)19(35-5)13-22(36-15)37-18-7-8-24(3)17(12-18)6-9-27(33)20(24)14-21(30)25(4)26(32,16(2)29)10-11-28(25,27)34/h6,15-16,18-23,29-34H,7-14H2,1-5H3/t15-,16+,18+,19+,20-,21-,22+,23-,24+,25-,26-,27+,28-/m1/s1 |
| InChIKey | ZFNMBNPTGIKSSQ-JJKFRMQOSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | PHYTOCHEM.,39,199(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00867-S |
| Molecular Weight | 526.668 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ8995 |