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Austrodorin A

View entire compound with spectra: 1 MS (GC)

Austrodorin A
SpectraBase Compound ID A9aV6n9qM17
InChI InChI=1S/C27H42O8/c1-16-7-8-22-26(5,23(16)24(32)35-20(13-28)14-29)10-9-21-25(4,15-33-17(2)30)11-19(34-18(3)31)12-27(21,22)6/h19-23,28-29H,1,7-15H2,2-6H3/t19-,21?,22?,23-,25+,26+,27-/m1/s1
InChIKey ODEGJBJDFABXMQ-XQVCXPSSSA-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 CgcJqpqZchN
Name Austrodorin A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42O8
InChI InChI=1S/C27H42O8/c1-16-7-8-22-26(5,23(16)24(32)35-20(13-28)14-29)10-9-21-25(4,15-33-17(2)30)11-19(34-18(3)31)12-27(21,22)6/h19-23,28-29H,1,7-15H2,2-6H3/t19-,21?,22?,23-,25+,26+,27-/m1/s1
InChIKey ODEGJBJDFABXMQ-XQVCXPSSSA-N
Molecular Weight 494.625 g/mol
SMILES OCC(CO)OC([C@@]1([C@@]2(C([C@]3(C([C@@](C[C@](C3)(OC(=O)C)[H])(COC(=O)C)C)CC2)C)CCC1=C)C)[H])=O
SPLASH splash10-014i-0943400000-aeedd398704fdf892720
Source of Spectrum AT-40-8472-7
Synonyms (1S,4bS,6S,8R,10aS)-6-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,6S,8R,10aS)-6-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,6S,8R,10aS)-6-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,6S,8R,10aS)-6-acetyloxy-8-(acetyloxymethyl)-4b,8,10a-trimethyl-2-methylidene-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1-carboxylate
Wiley ID 854701