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ent-6.alpha..-Hydroxy-2,3-seco-13-epi-manoyl oxide-2,3-dioic acid 2-methyl ester
SpectraBase Compound ID 5qIelEMLrRl
InChI InChI=1S/C21H34O6/c1-8-19(4)10-9-14-20(5,12-15(23)26-7)16(18(2,3)17(24)25)13(22)11-21(14,6)27-19/h8,13-14,16,22H,1,9-12H2,2-7H3,(H,24,25)/t13-,14?,16?,19-,20-,21-/m0/s1
InChIKey PFMHRSHISGSMEI-IPHIPUOISA-N
Mol Weight 382.5 g/mol
Molecular Formula C21H34O6
Exact Mass 382.235539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KHCWx61EolQ
Name ent-6.alpha..-Hydroxy-2,3-seco-13-epi-manoyl oxide-2,3-dioic acid 2-methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O6
InChI InChI=1S/C21H34O6/c1-8-19(4)10-9-14-20(5,12-15(23)26-7)16(18(2,3)17(24)25)13(22)11-21(14,6)27-19/h8,13-14,16,22H,1,9-12H2,2-7H3,(H,24,25)/t13-,14?,16?,19-,20-,21-/m0/s1
InChIKey PFMHRSHISGSMEI-IPHIPUOISA-N
Molecular Weight 382.497 g/mol
SMILES OC(C(C1[C@](C[C@]2(C([C@@]1(CC(=O)OC)C)CC[C@@](O2)(C=C)C)C)(O)[H])(C)C)=O
SPLASH splash10-0002-0029000000-ccafb164c9aef45010ed
Source of Spectrum F-55-1791-18
Synonyms 2-[(2R,5R,7S,8aS)-7-hydroxy-5-(2-methoxy-2-oxoethyl)-2,5,8a-trimethyl-2-vinyloctahydro-2H-chromen-6-yl]-2-methylpropanoic acid ent-6.alpha..-Hydroxy-2,3-seco-13-ep-manoyl oxide-2,3-dioic acid 2-methyl ester
Wiley ID 836686