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Austrodorin B

View entire compound with spectra: 1 MS (GC)

Austrodorin B
SpectraBase Compound ID 8KhVYcTMdKe
InChI InChI=1S/C27H42O8/c1-16-7-8-20-25(4)12-10-22(34-18(3)31)27(6,15-33-17(2)30)21(25)9-11-26(20,5)23(16)24(32)35-19(13-28)14-29/h19-23,28-29H,1,7-15H2,2-6H3/t20?,21?,22-,23+,25-,26-,27-/m0/s1
InChIKey GYNKNJQMGVTEQN-BDHYLNOJSA-N
Mol Weight 494.6 g/mol
Molecular Formula C27H42O8
Exact Mass 494.287968 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DZ7y9cZwu17
Name Austrodorin B
Alternate Name(s) (1S,4bS,7S,8R,10aS)-7-acetyloxy-8-(acetyloxymethyl)-4b,8,10a-trimethyl-2-methylene-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1-carboxylic acid 1,3-dihydroxypropan-2-yl ester 1,3-Dihydroxypropan-2-yl (1S,4bS,7S,8R,10aS)-7-acetyloxy-8-(acetyloxymethyl)-4b,8,10a-trimethyl-2-methylidene-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1-carboxylate [2-hydroxy-1-(hydroxymethyl)ethyl] (1S,4bS,7S,8R,10aS)-7-acetoxy-8-(acetoxymethyl)-4b,8,10a-trimethyl-2-methylene-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1-carboxylate 1,3-bis(oxidanyl)propan-2-yl (1S,4bS,7S,8R,10aS)-7-acetyloxy-8-(acetyloxymethyl)-4b,8,10a-trimethyl-2-methylidene-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1-carboxylate
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Formula C27H42O8
InChI InChI=1S/C27H42O8/c1-16-7-8-20-25(4)12-10-22(34-18(3)31)27(6,15-33-17(2)30)21(25)9-11-26(20,5)23(16)24(32)35-19(13-28)14-29/h19-23,28-29H,1,7-15H2,2-6H3/t20?,21?,22-,23+,25-,26-,27-/m0/s1
InChIKey GYNKNJQMGVTEQN-BDHYLNOJSA-N
Molecular Weight 494.625 g/mol
SMILES OCC(CO)OC([C@@]1([C@@]2(C([C@]3(C([C@@]([C@@](OC(=O)C)(CC3)[H])(COC(=O)C)C)CC2)C)CCC1=C)C)[H])=O
SPLASH splash10-0a4i-9100000000-3c1e4a11957e28eb68b3
Source of Spectrum AT-40-8474-8
Wiley ID 854700