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[3aS-(3aR*,8R*,17aR*)]-5,6,7,8,17,17a-Hexahydro-11-hydroxy-13-methoxy-2,2,8-trimethyl-4H-1,3-dioxolo[4,5-h][2]benzoxacyclotetradecin-4,10(3aH)-dione

View entire compound with spectra: 1 MS (GC)

[3aS-(3aR*,8R*,17aR*)]-5,6,7,8,17,17a-Hexahydro-11-hydroxy-13-methoxy-2,2,8-trimethyl-4H-1,3-dioxolo[4,5-h][2]benzoxacyclotetradecin-4,10(3aH)-dione
SpectraBase Compound ID LuVivtrB5zS
InChI InChI=1S/C22H28O7/c1-13-7-5-9-16(23)20-18(28-22(2,3)29-20)10-6-8-14-11-15(26-4)12-17(24)19(14)21(25)27-13/h6,8,11-13,18,20,24H,5,7,9-10H2,1-4H3/b8-6-/t13-,18-,20+/m0/s1
InChIKey NGYSFASJWTYBSJ-JMDVULSOSA-N
Mol Weight 404.46 g/mol
Molecular Formula C22H28O7
Exact Mass 404.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GU4W4d8SspP
Name [3aS-(3aR*,8R*,17aR*)]-5,6,7,8,17,17a-Hexahydro-11-hydroxy-13-methoxy-2,2,8-trimethyl-4H-1,3-dioxolo[4,5-h][2]benzoxacyclotetradecin-4,10(3aH)-dione
CAS Registry Number 66036-83-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O7
InChI InChI=1S/C22H28O7/c1-13-7-5-9-16(23)20-18(28-22(2,3)29-20)10-6-8-14-11-15(26-4)12-17(24)19(14)21(25)27-13/h6,8,11-13,18,20,24H,5,7,9-10H2,1-4H3/b8-6-/t13-,18-,20+/m0/s1
InChIKey NGYSFASJWTYBSJ-JMDVULSOSA-N
Molecular Weight 404.459 g/mol
SMILES Oc1c2C(O[C@](CCCC([C@]3(OC(O[C@]3(C\C=C/c2cc(c1)OC)[H])(C)C)[H])=O)(C)[H])=O
SPLASH splash10-0f6y-8900600000-f0d4373b5680b257fe8a
Source of Spectrum J-43-2342-0
Synonyms (3aS,8S,17aS)-11-hydroxy-13-methoxy-2,2,8-trimethyl-5,6,7,8,17,17a-hexahydro-4H-[1,3]dioxolo[4,5-h][2]benzoxacyclotetradecin-4,10(3aH)-dione
Wiley ID 1371263