12-[3-(Dicyclohexylamino)-2-hydroxypropoxy] abieta-8,11,13-trien-7-one

SpectraBase Compound ID	JHAzumxVLIe
InChI	InChI=1S/C35H55NO3/c1-24(2)28-19-29-30(35(5)18-12-17-34(3,4)33(35)21-31(29)38)20-32(28)39-23-27(37)22-36(25-13-8-6-9-14-25)26-15-10-7-11-16-26/h19-20,24-27,33,37H,6-18,21-23H2,1-5H3/t27?,33-,35+/m0/s1
InChIKey	SKRADZNMFMJMSW-FXJDFBSNSA-N Google Search
Mol Weight	537.8 g/mol
Molecular Formula	C35H55NO3
Exact Mass	537.418195 g/mol

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SpectraBase Spectrum ID	CDlZh86pejX
Name	12-[3-(Dicyclohexylamino)-2-hydroxypropoxy] abieta-8,11,13-trien-7-one
Alternate Name(s)	12-[3-(Dicyclohexylamino)-2-hydroxypropoxy]abieta-8,11,13-trien-7-one (4aS,10aS)-6-(3-(dicyclohexylamino)-2-hydroxypropoxy)-7-isopropyl-1,1,4a-trimethyl-2,3,4,4a,10,10a-hexahydrophenanthren-9(1H)-one (4aS,10aS)-6-[3-(dicyclohexylamino)-2-hydroxypropoxy]-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one (4aS,10aS)-6-[3-(dicyclohexylamino)-2-oxidanyl-propoxy]-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C35H55NO3
InChI	InChI=1S/C35H55NO3/c1-24(2)28-19-29-30(35(5)18-12-17-34(3,4)33(35)21-31(29)38)20-32(28)39-23-27(37)22-36(25-13-8-6-9-14-25)26-15-10-7-11-16-26/h19-20,24-27,33,37H,6-18,21-23H2,1-5H3/t27?,33-,35+/m0/s1
InChIKey	SKRADZNMFMJMSW-FXJDFBSNSA-N
Molecular Weight	537.829 g/mol
SMILES	OC(CN(C1CCCCC1)C1CCCCC1)COc1cc2[C@@]3([C@@](CC(c2cc1C(C)C)=O)(C(CCC3)(C)C)[H])C
SPLASH	splash10-0006-1900000000-08d6deb51e7aae30538f
Source of Spectrum	EMC-41-1331-4i
Wiley ID	1735037