| SpectraBase Compound ID | 71bJ5eWYF4j |
|---|---|
| InChI | InChI=1S/C33H45NO7/c1-5-34-17-31(18-38-2)14-13-23(35)33-21-15-20-22(39-3)16-32(37,26(30(33)34)28(40-4)29(31)33)25(21)27(20)41-24(36)12-11-19-9-7-6-8-10-19/h6-12,20-23,25-30,35,37H,5,13-18H2,1-4H3/b12-11+/t20-,21-,22+,23+,25-,26-,27+,28+,29-,30?,31+,32-,33+/m1/s1 |
| InChIKey | QNCJLCAJHJQEGR-HMLOYAOUSA-N |
| Mol Weight | 567.7 g/mol |
| Molecular Formula | C33H45NO7 |
| Exact Mass | 567.319603 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | OmvN7jngIx |
|---|---|
| Name | 14-O-Cinnamoylneoline |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H45NO7 |
| InChI | InChI=1S/C33H45NO7/c1-5-34-17-31(18-38-2)14-13-23(35)33-21-15-20-22(39-3)16-32(37,26(30(33)34)28(40-4)29(31)33)25(21)27(20)41-24(36)12-11-19-9-7-6-8-10-19/h6-12,20-23,25-30,35,37H,5,13-18H2,1-4H3/b12-11+/t20-,21-,22+,23+,25-,26-,27+,28+,29-,30?,31+,32-,33+/m1/s1 |
| InChIKey | QNCJLCAJHJQEGR-HMLOYAOUSA-N |
| Molecular Weight | 567.723 g/mol |
| SMILES | O[C@]1(CC[C@@]2([C@]3([C@]([C@@]4(C([C@@]13[C@]1([C@]3([C@@]4(C[C@@]([C@](C1)([H])[C@@]3(OC(\C=C\c1ccccc1)=O)[H])(OC)[H])O)[H])[H])N(C2)CC)[H])(OC)[H])[H])COC)[H] |
| SPLASH | splash10-0ue9-0100090000-5cdce598f59f2819313c |
| Source of Spectrum | E2-51-1002-3 |
| Synonyms | (1alpha,6alpha,7beta,14alpha,16beta,17S)-20-ethyl-1,8-dihydroxy-6,16-dimethoxy-4-(methoxymethyl)aconitan-14-yl (2E)-3-phenyl-2-propenoate |
| Wiley ID | 1556234 |