| SpectraBase Compound ID | KB51gGq3S7J |
|---|---|
| InChI | InChI=1S/C39H50O11/c1-6-7-8-9-10-11-12-19-36-48-33-29-32-35(21-40,47-32)34(44)37(45)27(20-23(4)30(37)43)39(29,50-36)24(5)31(38(33,49-36)22(2)3)46-28(42)18-15-25-13-16-26(41)17-14-25/h13-18,20,24,27,29,31-34,40-41,44-45H,2,6-12,19,21H2,1,3-5H3/b18-15+/t24-,27-,29+,31-,32+,33-,34-,35+,36-,37-,38+,39+/m1/s1 |
| InChIKey | ISJKPVSGUKXWTP-IKMRGZSKSA-N |
| Mol Weight | 694.8 g/mol |
| Molecular Formula | C39H50O11 |
| Exact Mass | 694.335312 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ek8rxSqD5h |
|---|---|
| Name | HIRSEIN_B-E;5-BETA-HYDROXYRESINIFERONOL-6-ALPHA,7-ALPHA-EPOXY-12-BETA-(E-COUMAROYLOXY)-9,13,14-ORTHO-DECANOATE |
| Compound Number | 2E |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H50O11 |
| InChI | InChI=1S/C39H50O11/c1-6-7-8-9-10-11-12-19-36-48-33-29-32-35(21-40,47-32)34(44)37(45)27(20-23(4)30(37)43)39(29,50-36)24(5)31(38(33,49-36)22(2)3)46-28(42)18-15-25-13-16-26(41)17-14-25/h13-18,20,24,27,29,31-34,40-41,44-45H,2,6-12,19,21H2,1,3-5H3/b18-15+/t24-,27-,29+,31-,32+,33-,34-,35+,36-,37-,38+,39+/m1/s1 |
| InChIKey | ISJKPVSGUKXWTP-IKMRGZSKSA-N |
| Literature Reference Author | Y.MIYAMAE,M.O.VILLAREAL,M.B.ABDRABBAH,H.ISODA,H.SHIGEMORI |
| Literature Reference Citation | J.NAT.PROD.,72,938(2009) |
| Literature Reference DOI | 10.1021/np800808h |
| Molecular Weight | 694.819 g/mol |
| Sample ID | 32609 |
| Solvent | CDCl3 |