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3.beta.-Palmityl-Longispinogenin

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3.beta.-Palmityl-Longispinogenin
SpectraBase Compound ID K5G8mD2T3JN
InChI InChI=1S/C46H80O4/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-40(49)50-39-26-27-43(6)36(42(39,4)5)25-28-44(7)37(43)24-23-34-35-31-41(2,3)29-30-46(35,33-47)38(48)32-45(34,44)8/h23,35-39,47-48H,9-22,24-33H2,1-8H3/t35-,36?,37-,38+,39+,43+,44-,45-,46-/m1/s1
InChIKey OPGQHWKKODQISN-ZWJGQMMPSA-N
Mol Weight 697.1 g/mol
Molecular Formula C46H80O4
Exact Mass 696.605661 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8jMm0CIjF0o
Name 3.beta.-Palmityl-Longispinogenin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H80O4
InChI InChI=1S/C46H80O4/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-40(49)50-39-26-27-43(6)36(42(39,4)5)25-28-44(7)37(43)24-23-34-35-31-41(2,3)29-30-46(35,33-47)38(48)32-45(34,44)8/h23,35-39,47-48H,9-22,24-33H2,1-8H3/t35-,36?,37-,38+,39+,43+,44-,45-,46-/m1/s1
InChIKey OPGQHWKKODQISN-ZWJGQMMPSA-N
Molecular Weight 697.142 g/mol
SMILES O[C@@]1([C@@]2(CO)CCC(C[C@@]2(C=2[C@@](C1)([C@@]1(CCC3C([C@](CC[C@@]3([C@]1(CC2)[H])C)(OC(=O)CCCCCCCCCCCCCCC)[H])(C)C)C)C)[H])(C)C)[H]
SPLASH splash10-0udi-0690000000-3b2e588bdd6318f0424c
Source of Spectrum X2-52-383-1
Synonyms (3beta,16beta,18alpha)-16,28-dihydroxyolean-12-en-3-yl palmitate Hexadecanoic acid[(3S,6aR,6bS,8S,8aS,12aR,14aR,14bR)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]ester Olean-12-ene-3.beta.,16.beta.,28-triol-3-Palmitate palmitic acid[(3S,6aR,6bS,8S,8aS,12aR,14aR,14bR)-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-methylol-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]ester [(3S,6aR,6bS,8S,8aS,12aR,14aR,14bR)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]hexadecanoate [(3S,6aR,6bS,8S,8aS,12aR,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-8-oxidanyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]hexadecanoate Hexadecanoic acid [(3S,6aR,6bS,8S,8aS,12aR,14aR,14bR)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] ester [(3S,6aR,6bS,8S,8aS,12aR,14aR,14bR)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] hexadecanoate [(3S,6aR,6bS,8S,8aS,12aR,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-8-oxidanyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] hexadecanoate
Wiley ID 1603098