METHYL-[1R-(1-ALPHA,4A-BETA,7-BETA,8-BETA,10A-ALPHA)]-1,2,3,4A,5,6,7,8,9,10A-DODECAHYDRO-7,8-DIHYDROXY-1,4A-DIMETHYL-7-(1-METHYLETHYL)-PHENANTHREN

SpectraBase Compound ID	KlgJ5hHpKyC
InChI	InChI=1S/C21H34O4/c1-13(2)21(24)12-9-15-14(17(21)22)7-8-16-19(15,3)10-6-11-20(16,4)18(23)25-5/h13,16-17,22,24H,6-12H2,1-5H3/t16-,17+,19-,20-,21+/m1/s1
InChIKey	KGBHADWQRUIUEF-ZVXZJYCBSA-N Google Search
Mol Weight	350.5 g/mol
Molecular Formula	C21H34O4
Exact Mass	350.24571 g/mol

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SpectraBase Spectrum ID	7KIgs9UUKyn
Name	(1R,4aS,7S,8S,10aR)-7,8-dihydroxy-1,4a-dimethyl-7-propan-2-yl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid methyl ester
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H34O4
InChI	InChI=1S/C21H34O4/c1-13(2)21(24)12-9-15-14(17(21)22)7-8-16-19(15,3)10-6-11-20(16,4)18(23)25-5/h13,16-17,22,24H,6-12H2,1-5H3/t16-,17+,19-,20-,21+/m1/s1
InChIKey	KGBHADWQRUIUEF-ZVXZJYCBSA-N
Molecular Weight	350.499 g/mol
SMILES	O[C@]1(C2=C(CC[C@@]1(C(C)C)O)[C@@]1([C@@](CC2)([C@@](CCC1)(C(=O)OC)C)[H])C)[H]
SPLASH	splash10-0007-7293000000-4d5ad94aac5a48fd5288
Source of Spectrum	AH-126-1113-5
Synonyms	(1R,4aS,7S,8S,10aR)-7,8-dihydroxy-7-isopropyl-1,4a-dimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid methyl ester Methyl (1R,4aS,7S,8S,10aR)-1,4a-dimethyl-7,8-bis(oxidanyl)-7-propan-2-yl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate Methyl (1R,4aS,7S,8S,10aR)-7,8-dihydroxy-1,4a-dimethyl-7-propan-2-yl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate Methyl (1R,4aS,7S,8S,10aR)-7,8-dihydroxy-7-isopropyl-1,4a-dimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate
Wiley ID	1342170