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Lyngbyaloside

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Lyngbyaloside
SpectraBase Compound ID HiBjGHGIGa1
InChI InChI=1S/C31H49BrO10/c1-18-11-10-13-24(33)19(2)25-16-23(41-30-28(38-7)27(37-6)26(36-5)21(4)39-30)17-31(35,42-25)20(3)29(34)40-22(15-18)12-8-9-14-32/h8-12,14,18-28,30,33,35H,13,15-17H2,1-7H3/b11-10-,12-8+,14-9+/t18?,19?,20?,21-,22?,23+,24?,25+,26-,27+,28+,30-,31-/m1/s1
InChIKey RXKHKYLAQKUTIR-JFFWIJAFSA-N
Mol Weight 661.6 g/mol
Molecular Formula C31H49BrO10
Exact Mass 660.250911 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EaPjtiBpuov
Name Lyngbyaloside
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H49BrO10
InChI InChI=1S/C31H49BrO10/c1-18-11-10-13-24(33)19(2)25-16-23(41-30-28(38-7)27(37-6)26(36-5)21(4)39-30)17-31(35,42-25)20(3)29(34)40-22(15-18)12-8-9-14-32/h8-12,14,18-28,30,33,35H,13,15-17H2,1-7H3/b11-10-,12-8+,14-9+/t18?,19?,20?,21-,22?,23+,24?,25+,26-,27+,28+,30-,31-/m1/s1
InChIKey RXKHKYLAQKUTIR-JFFWIJAFSA-N
Molecular Weight 661.627 g/mol
SMILES OC1C([C@]2(O[C@@](C(C(OC(CC(\C=C/C1)C)\C=C\C=C\Br)=O)C)(C[C@](C2)(O[C@@]1([C@]([C@@](OC)([C@@]([C@](O1)(C)[H])(OC)[H])[H])(OC)[H])[H])[H])O)[H])C
SPLASH splash10-000i-6901000000-2795baa94bbdc33557bf
Source of Spectrum G4-60-1059-1
Synonyms (1S,5Z,13R,15S)-9-[(1E,3E)-4-bromanylbuta-1,3-dienyl]-2,7,12-trimethyl-3,13-bis(oxidanyl)-15-[(2S,3S,4S,5R,6R)-3,4,5-trimethoxy-6-methyl-oxan-2-yl]oxy-10,17-dioxabicyclo[11.3.1]heptadec-5-en-11-one (1S,5Z,13R,15S)-9-[(1E,3E)-4-bromobuta-1,3-dienyl]-3,13-dihydroxy-2,7,12-trimethyl-15-[(2S,3S,4S,5R,6R)-3,4,5-trimethoxy-6-methyl-tetrahydropyran-2-yl]oxy-10,17-dioxabicyclo[11.3.1]heptadec-5-en-11-one (1S,5Z,13R,15S)-9-[(1E,3E)-4-bromobuta-1,3-dienyl]-3,13-dihydroxy-2,7,12-trimethyl-15-[(2S,3S,4S,5R,6R)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-10,17-dioxabicyclo[11.3.1]heptadec-5-en-11-one (1S,5Z,13R,15S)-9-[(1E,3E)-4-bromobuta-1,3-dienyl]-3,13-dihydroxy-2,7,12-trimethyl-15-[[(2S,3S,4S,5R,6R)-3,4,5-trimethoxy-6-methyl-2-oxanyl]oxy]-10,17-dioxabicyclo[11.3.1]heptadec-5-en-11-one
Wiley ID 1606931