12-[3-(6-Amino-9H-purin-9-yl)-2-hydroxypropoxy]abieta-8,11,13-trien-7-one

SpectraBase Compound ID	EwgXAPYF9lp
InChI	InChI=1S/C28H37N5O3/c1-16(2)18-9-19-20(28(5)8-6-7-27(3,4)23(28)11-21(19)35)10-22(18)36-13-17(34)12-33-15-32-24-25(29)30-14-31-26(24)33/h9-10,14-17,23,34H,6-8,11-13H2,1-5H3,(H2,29,30,31)/t17?,23-,28+/m0/s1
InChIKey	RPQQPTQDWCCDSJ-UKTKVZDHSA-N Google Search
Mol Weight	491.6 g/mol
Molecular Formula	C28H37N5O3
Exact Mass	491.28964 g/mol

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SpectraBase Spectrum ID	L0UeaqIvD1d
Name	12-[3-(6-Amino-9H-purin-9-yl)-2-hydroxypropoxy]abieta-8,11,13-trien-7-one
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H37N5O3
InChI	InChI=1S/C28H37N5O3/c1-16(2)18-9-19-20(28(5)8-6-7-27(3,4)23(28)11-21(19)35)10-22(18)36-13-17(34)12-33-15-32-24-25(29)30-14-31-26(24)33/h9-10,14-17,23,34H,6-8,11-13H2,1-5H3,(H2,29,30,31)/t17?,23-,28+/m0/s1
InChIKey	RPQQPTQDWCCDSJ-UKTKVZDHSA-N
Molecular Weight	491.636 g/mol
SMILES	Nc1c2c([n](CC(COc3cc4[C@@]5([C@@](CC(c4cc3C(C)C)=O)(C(CCC5)(C)C)[H])C)O)cn2)ncn1
SPLASH	splash10-00bc-0900000000-7570b887f47b01a7f9f9
Source of Spectrum	EMC-41-1331-4k
Synonyms	(4aS,10aS)-6-(3-(6-amino-9H-purin-9-yl)-2-hydroxypropoxy)-7-isopropyl-1,1,4a-trimethyl-2,3,4,4a,10,10a-hexahydrophenanthren-9(1H)-one (4aS,10aS)-6-[3-(6-aminopurin-9-yl)-2-hydroxypropoxy]-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one (4aS,10aS)-6-[3-(6-aminopurin-9-yl)-2-hydroxy-propoxy]-7-isopropyl-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one (4aS,10aS)-6-[3-(6-aminopurin-9-yl)-2-oxidanyl-propoxy]-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
Wiley ID	1735035