| SpectraBase Compound ID | 6oHdjERnCJG |
|---|---|
| InChI | InChI=1S/C29H46O9/c1-15(30)38-25(2,3)10-9-22(33)28(6,36)21-8-12-29(37)17-13-19(31)18-14-20(32)23(34)24(35)27(18,5)16(17)7-11-26(21,29)4/h13,16,18,20-24,32-37H,7-12,14H2,1-6H3/t16?,18-,20+,21-,22+,23+,24+,26+,27+,28?,29+/m0/s1 |
| InChIKey | QMXDANIONYZQEX-YPWZFJHTSA-N |
| Mol Weight | 538.7 g/mol |
| Molecular Formula | C29H46O9 |
| Exact Mass | 538.314183 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 43kXvLc5G7t |
|---|---|
| Name | INTEGRISTERONE-A-25-ACETATE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H46O9 |
| InChI | InChI=1S/C29H46O9/c1-15(30)38-25(2,3)10-9-22(33)28(6,36)21-8-12-29(37)17-13-19(31)18-14-20(32)23(34)24(35)27(18,5)16(17)7-11-26(21,29)4/h13,16,18,20-24,32-37H,7-12,14H2,1-6H3/t16?,18-,20+,21-,22+,23+,24+,26+,27+,28?,29+/m0/s1 |
| InChIKey | QMXDANIONYZQEX-YPWZFJHTSA-N |
| Literature Reference Author | A.SUKSAMRARN,A.JANKAM,B.TARNCHOMPOO,S.PUTCHAKARN |
| Literature Reference Citation | J.NAT.PROD.,65,1194(2002) |
| Literature Reference DOI | 10.1021/np010645s |
| Molecular Weight | 538.679 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSI6327 |