| SpectraBase Compound ID | HHK3Eu2H1H2 |
|---|---|
| InChI | InChI=1S/C39H54O6/c1-24(2)27-15-20-38(34(43)44)21-22-39(23-45-32(42)14-9-25-7-10-26(40)11-8-25)28(33(27)38)12-13-30-36(5)18-17-31(41)35(3,4)29(36)16-19-37(30,39)6/h7-11,14,27-31,33,40-41H,1,12-13,15-23H2,2-6H3,(H,43,44)/b14-9+/t27?,28?,29?,30?,31?,33?,36-,37+,38-,39-/m0/s1 |
| InChIKey | QVDWZHZEKAIMQB-WIDYLLBGSA-N |
| Mol Weight | 618.9 g/mol |
| Molecular Formula | C39H54O6 |
| Exact Mass | 618.392039 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 30BkiTJmxGg |
|---|---|
| Name | POL - 6 AB |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C39H54O6 |
| InChI | InChI=1S/C39H54O6/c1-24(2)27-15-20-38(34(43)44)21-22-39(23-45-32(42)14-9-25-7-10-26(40)11-8-25)28(33(27)38)12-13-30-36(5)18-17-31(41)35(3,4)29(36)16-19-37(30,39)6/h7-11,14,27-31,33,40-41H,1,12-13,15-23H2,2-6H3,(H,43,44)/b14-9+/t27?,28?,29?,30?,31?,33?,36-,37+,38-,39-/m0/s1 |
| InChIKey | QVDWZHZEKAIMQB-WIDYLLBGSA-N |
| Molecular Weight | 618.855 g/mol |
| SMILES | OC1CC[C@@]2(C3[C@]([C@@]4(COC(\C=C\c5ccc(cc5)O)=O)C(CC3)C3C(CC[C@@]3(CC4)C(=O)O)C(=C)C)(CCC2C1(C)C)C)C |
| SPLASH | splash10-0mi2-4920200000-d99bb67d6e1c4ccfc1ae |
| Source of Spectrum | PS-1999-0-90 |
| Synonyms | (1R,2S,5S,14R)-17-hydroxy-2-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)-1,14,18,18-tetramethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0(2,10).0(5,9).0(14,19)]henicosane-5-carboxylic acid |
| Wiley ID | 1411451 |