| SpectraBase Compound ID | J68EMSCjD9O |
|---|---|
| InChI | InChI=1S/C35H44O11/c1-15(2)19(36)13-18-24(37)21-25(38)22-28(42-9)33(43-10)14-20-32(7,8)46-34(30(33)41,12-11-16(3)29(39)40)35(20,22)45-27(21)23-26(18)44-17(4)31(23,5)6/h11,17,19-20,22,28,36-37H,1,12-14H2,2-10H3,(H,39,40)/b16-11+/t17-,19?,20+,22-,28-,33+,34+,35-/m0/s1 |
| InChIKey | URNSFYRCKOZPSO-LQEORUIJSA-N |
| Mol Weight | 640.7 g/mol |
| Molecular Formula | C35H44O11 |
| Exact Mass | 640.288362 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BlNRKwR3hKb |
|---|---|
| Name | SCORTECHINONE_S |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H44O11 |
| InChI | InChI=1S/C35H44O11/c1-15(2)19(36)13-18-24(37)21-25(38)22-28(42-9)33(43-10)14-20-32(7,8)46-34(30(33)41,12-11-16(3)29(39)40)35(20,22)45-27(21)23-26(18)44-17(4)31(23,5)6/h11,17,19-20,22,28,36-37H,1,12-14H2,2-10H3,(H,39,40)/b16-11+/t17-,19?,20+,22-,28-,33+,34+,35-/m0/s1 |
| InChIKey | URNSFYRCKOZPSO-LQEORUIJSA-N |
| Literature Reference Author | Y.SUKPONDMA,V.RUKACHAISIRIKUL,S.PHONGPAICHIT |
| Literature Reference Citation | J.NAT.PROD.,68,1010(2005) |
| Literature Reference DOI | 10.1021/np0580098 |
| Molecular Weight | 640.728 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ12067 |