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12-[3-(Dibenzylamino)-2-hydroxypropoxy]abieta-8,11,13-trien-7-one
SpectraBase Compound ID 3xcxkWt1gT9
InChI InChI=1S/C37H47NO3/c1-26(2)30-19-31-32(37(5)18-12-17-36(3,4)35(37)21-33(31)40)20-34(30)41-25-29(39)24-38(22-27-13-8-6-9-14-27)23-28-15-10-7-11-16-28/h6-11,13-16,19-20,26,29,35,39H,12,17-18,21-25H2,1-5H3/t29?,35-,37+/m0/s1
InChIKey QUCYYKULGQUDAE-SIRBLQOCSA-N
Mol Weight 553.8 g/mol
Molecular Formula C37H47NO3
Exact Mass 553.355594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7s8dyBlmvXr
Name 12-[3-(Dibenzylamino)-2-hydroxypropoxy]abieta-8,11,13-trien-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H47NO3
InChI InChI=1S/C37H47NO3/c1-26(2)30-19-31-32(37(5)18-12-17-36(3,4)35(37)21-33(31)40)20-34(30)41-25-29(39)24-38(22-27-13-8-6-9-14-27)23-28-15-10-7-11-16-28/h6-11,13-16,19-20,26,29,35,39H,12,17-18,21-25H2,1-5H3/t29?,35-,37+/m0/s1
InChIKey QUCYYKULGQUDAE-SIRBLQOCSA-N
Molecular Weight 553.787 g/mol
SMILES OC(CN(Cc1ccccc1)Cc1ccccc1)COc1cc2[C@@]3([C@@](CC(c2cc1C(C)C)=O)(C(CCC3)(C)C)[H])C
SPLASH splash10-03di-3090000000-64588dcfd5dd2cb215e7
Source of Spectrum EMC-41-1331-4g
Synonyms 12-[3-Dibenzylamino)-2-hydroxypropoxy]abieta-8,11,13-trien-7-one (4aS,10aS)-6-(3-(dibenzylamino)-2-hydroxypropoxy)-7-isopropyl-1,1,4a-trimethyl-2,3,4,4a,10,10a-hexahydrophenanthren-9(1H)-one (4aS,10aS)-6-[3-[bis(phenylmethyl)amino]-2-hydroxypropoxy]-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one (4aS,10aS)-6-[3-(dibenzylamino)-2-hydroxypropoxy]-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one (4aS,10aS)-6-[3-[bis(phenylmethyl)amino]-2-oxidanyl-propoxy]-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
Wiley ID 1735038