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3-Acetoxy-7-hydroxy-11,15,23-trioxo-lanost-8-en-26-oic Acid
SpectraBase Compound ID IpeWjqmgb4W
InChI InChI=1S/C32H46O8/c1-16(11-19(34)12-17(2)28(38)39)20-13-24(37)32(8)27-21(35)14-23-29(4,5)25(40-18(3)33)9-10-30(23,6)26(27)22(36)15-31(20,32)7/h16-17,20-21,23,25,35H,9-15H2,1-8H3,(H,38,39)/t16-,17?,20-,21+,23?,25+,30+,31-,32+/m1/s1
InChIKey AKGNVAXELNDUHN-GYORMXNSSA-N
Mol Weight 558.7 g/mol
Molecular Formula C32H46O8
Exact Mass 558.319268 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eo6E6ctlXii
Name 3-Acetoxy-7-hydroxy-11,15,23-trioxo-lanost-8-en-26-oic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H46O8
InChI InChI=1S/C32H46O8/c1-16(11-19(34)12-17(2)28(38)39)20-13-24(37)32(8)27-21(35)14-23-29(4,5)25(40-18(3)33)9-10-30(23,6)26(27)22(36)15-31(20,32)7/h16-17,20-21,23,25,35H,9-15H2,1-8H3,(H,38,39)/t16-,17?,20-,21+,23?,25+,30+,31-,32+/m1/s1
InChIKey AKGNVAXELNDUHN-GYORMXNSSA-N
Molecular Weight 558.712 g/mol
SMILES O[C@]1(CC2C([C@](CC[C@@]2(C2=C1[C@]1([C@@]([C@@]([C@@](CC(CC(C(=O)O)C)=O)(C)[H])(CC1=O)[H])(CC2=O)C)C)C)(OC(=O)C)[H])(C)C)[H]
SPLASH splash10-001i-0002920000-0b62e32434a1162e022a
Source of Spectrum H-92-1592-1
Synonyms 3-O-acetylganoderic acid B (6R)-6-[(3S,7S,10S,13R,14R,17R)-3-acetyloxy-7-hydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid (6R)-6-[(3S,7S,10S,13R,14R,17R)-3-acetoxy-7-hydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxo-heptanoic acid (6R)-6-[(3S,7S,10S,13R,14R,17R)-3-acetyloxy-4,4,10,13,14-pentamethyl-7-oxidanyl-11,15-bis(oxidanylidene)-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxidanylidene-heptanoic acid
Wiley ID 1693653