For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3aR,6S,9aS)-3a-((R)-1-Hydroxy-2-methyl-propyl)-6,9a-dimethyl-2-oxo-2,3a,4,5,5a,6,7,8,9,9a-decahydro-naphtho[2,1-b]furan-6-carboxylic acid methyl ester
SpectraBase Compound ID 44fu4Bcm7An
InChI InChI=1S/C20H30O5/c1-12(2)16(22)20-10-7-13-18(3,14(20)11-15(21)25-20)8-6-9-19(13,4)17(23)24-5/h11-13,16,22H,6-10H2,1-5H3/t13?,16-,18+,19+,20-/m1/s1
InChIKey HOKIPNCECOAPNM-YXEVHJDSSA-N
Mol Weight 350.46 g/mol
Molecular Formula C20H30O5
Exact Mass 350.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID AIU6PE2z8ka
Name 3aR,6S,9aS)-3a-((R)-1-Hydroxy-2-methyl-propyl)-6,9a-dimethyl-2-oxo-2,3a,4,5,5a,6,7,8,9,9a-decahydro-naphtho[2,1-b]furan-6-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O5
InChI InChI=1S/C20H30O5/c1-12(2)16(22)20-10-7-13-18(3,14(20)11-15(21)25-20)8-6-9-19(13,4)17(23)24-5/h11-13,16,22H,6-10H2,1-5H3/t13?,16-,18+,19+,20-/m1/s1
InChIKey HOKIPNCECOAPNM-YXEVHJDSSA-N
Molecular Weight 350.455 g/mol
SMILES O[C@@]([C@]12C([C@@]3(C([C@@](C(=O)OC)(CCC3)C)CC1)C)=CC(O2)=O)(C(C)C)[H]
SPLASH splash10-004i-0090000000-20ed56d261832a9fb9a1
Source of Spectrum B-50-844-15
Synonyms Methyl (3aR)-3a-[(1R)-1-hydroxy-2-methylpropyl]-6,9a-dimethyl-2-oxo-2,3a,4,5,5a,6,7,8,9,9a-decahydronaphtho[2,1-b]furan-6-carboxylate 19-Methyl hydrogen (8R,1'R)-8-hydroxy-8-(1'-hydroxy-2'-methylpropyl)-(13-17)-pentanorlabd-9(11)-ene-12,19-dioate 12,8-lactone 19-Methyl 12-Hydrogen 8-hydroxy-8-(1'-hydroxy-2'-methylpropyl)-(13-17)pentanor-labd-8-ene-12,19-dioate-12,8-lactone
Wiley ID 810574