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1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,5,6,9,10,11,12-octahydro-8,9,16-trihydroxy-14-methoxy-3-methyl-, [3S-(3R*,8R*,9R*)]-
SpectraBase Compound ID GHQMhKBpyXt
InChI InChI=1S/C19H26O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,15,18,21-23H,3-8H2,1-2H3/t11-,15-,18+/m0/s1
InChIKey QPIFMCLNACVAAT-GEWABHDNSA-N
Mol Weight 366.41 g/mol
Molecular Formula C19H26O7
Exact Mass 366.167853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C0lQSo5JNXs
Name 1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,5,6,9,10,11,12-octahydro-8,9,16-trihydroxy-14-methoxy-3-methyl-, [3S-(3R*,8R*,9R*)]-
CAS Registry Number 66018-45-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O7
InChI InChI=1S/C19H26O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,15,18,21-23H,3-8H2,1-2H3/t11-,15-,18+/m0/s1
InChIKey QPIFMCLNACVAAT-GEWABHDNSA-N
Molecular Weight 366.410 g/mol
SMILES O[C@@]1([C@@](C(CCC[C@@](OC(c2c(cc(cc2CCC1)OC)O)=O)(C)[H])=O)(O)[H])[H]
SPLASH splash10-004i-0921000000-75de7e3f39489b7b5bf7
Source of Spectrum J-43-2342-0
Synonyms (3S,8S,9S)-8,9,16-trihydroxy-14-methoxy-3-methyl-3,4,5,6,9,10,11,12-octahydro-1H-2-benzoxacyclotetradecin-1,7(8H)-dione [3S-(3R*,8R*,9R*)]-3,,5,6,9,10,11,12-octahydro-8,9,16-trihydroxy-14-methoxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione
Wiley ID 1351873