![12-[3-(Dodecylamino)-2-hydroxypropoxy]abieta-8,11,13-trien-7-one](/api/spectrum/BbCrK6lbXtJ/structure.png?h=300&w=458 "12-[3-(Dodecylamino)-2-hydroxypropoxy]abieta-8,11,13-trien-7-one")
| SpectraBase Compound ID | L16uHjQEVX6 |
|---|---|
| InChI | InChI=1S/C35H59NO3/c1-7-8-9-10-11-12-13-14-15-16-20-36-24-27(37)25-39-32-22-30-29(21-28(32)26(2)3)31(38)23-33-34(4,5)18-17-19-35(30,33)6/h21-22,26-27,33,36-37H,7-20,23-25H2,1-6H3/t27?,33-,35+/m0/s1 |
| InChIKey | JVMCMGYJAMVDRV-FXJDFBSNSA-N |
| Mol Weight | 541.9 g/mol |
| Molecular Formula | C35H59NO3 |
| Exact Mass | 541.449495 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BbCrK6lbXtJ |
|---|---|
| Name | 12-[3-(Dodecylamino)-2-hydroxypropoxy]abieta-8,11,13-trien-7-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H59NO3 |
| InChI | InChI=1S/C35H59NO3/c1-7-8-9-10-11-12-13-14-15-16-20-36-24-27(37)25-39-32-22-30-29(21-28(32)26(2)3)31(38)23-33-34(4,5)18-17-19-35(30,33)6/h21-22,26-27,33,36-37H,7-20,23-25H2,1-6H3/t27?,33-,35+/m0/s1 |
| InChIKey | JVMCMGYJAMVDRV-FXJDFBSNSA-N |
| Molecular Weight | 541.861 g/mol |
| SMILES | OC(CNCCCCCCCCCCCC)COc1cc2[C@@]3([C@@](CC(c2cc1C(C)C)=O)(C(CCC3)(C)C)[H])C |
| SPLASH | splash10-0nmr-9440000000-0e5513127b3e517c885e |
| Source of Spectrum | EMC-41-1329-4a |
| Synonyms | (4aS,10aS)-6-(3-(dodecylamino)-2-hydroxypropoxy)-7-isopropyl-1,1,4a-trimethyl-2,3,4,4a,10,10a-hexahydrophenanthren-9(1H)-one (4aS,10aS)-6-[3-(dodecylamino)-2-hydroxypropoxy]-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one (4aS,10aS)-6-[3-(dodecylamino)-2-hydroxy-propoxy]-7-isopropyl-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one (4aS,10aS)-6-[3-(dodecylamino)-2-oxidanyl-propoxy]-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one |
| Wiley ID | 1735041 |