12-(2-Hydroxy-3-{[2-hydroxy-1-(hydroxymethyl)-1-methylethyl]amino}propoxy)abieta-8,11,13-trien-7-one

SpectraBase Compound ID	DOyYZjUXbG4
InChI	InChI=1S/C27H43NO5/c1-17(2)19-10-20-21(27(6)9-7-8-25(3,4)24(27)12-22(20)32)11-23(19)33-14-18(31)13-28-26(5,15-29)16-30/h10-11,17-18,24,28-31H,7-9,12-16H2,1-6H3/t18?,24-,27+/m0/s1
InChIKey	DJKQCTQKMYOVQT-FLIPDZAESA-N Google Search
Mol Weight	461.6 g/mol
Molecular Formula	C27H43NO5
Exact Mass	461.314123 g/mol

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SpectraBase Spectrum ID	KqllfZmWpsc
Name	12-(2-Hydroxy-3-{[2-hydroxy-1-(hydroxymethyl)-1-methylethyl]amino}propoxy)abieta-8,11,13-trien-7-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H43NO5
InChI	InChI=1S/C27H43NO5/c1-17(2)19-10-20-21(27(6)9-7-8-25(3,4)24(27)12-22(20)32)11-23(19)33-14-18(31)13-28-26(5,15-29)16-30/h10-11,17-18,24,28-31H,7-9,12-16H2,1-6H3/t18?,24-,27+/m0/s1
InChIKey	DJKQCTQKMYOVQT-FLIPDZAESA-N
Molecular Weight	461.643 g/mol
SMILES	N(C(CO)(CO)C)CC(COc1cc2[C@@]3([C@@](CC(c2cc1C(C)C)=O)(C(CCC3)(C)C)[H])C)O
SPLASH	splash10-0udr-3900300000-2b7a852c790f21591244
Source of Spectrum	EMC-41-1330-4c
Synonyms	(4aS,10aS)-6-(3-((1,3-dihydroxy-2-methylpropan-2-yl)amino)-2-hydroxypropoxy)-7-isopropyl-1,1,4a-trimethyl-2,3,4,4a,10,10a-hexahydrophenanthren-9(1H)-one (4aS,10aS)-6-[3-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-hydroxypropoxy]-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one (4aS,10aS)-6-[2-hydroxy-3-[[2-hydroxy-1-(hydroxymethyl)-1-methyl-ethyl]amino]propoxy]-7-isopropyl-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one (4aS,10aS)-1,1,4a-trimethyl-6-[3-[[2-methyl-1,3-bis(oxidanyl)propan-2-yl]amino]-2-oxidanyl-propoxy]-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
Wiley ID	1735039