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1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,5,6,9,10-hexahydro-5,14,16-trihydroxy-3-methyl-, [3S-(3R*,5R*,11E)]-
SpectraBase Compound ID AbEbi5uGE6a
InChI InChI=1S/C18H22O6/c1-11-7-14(20)9-13(19)6-4-2-3-5-12-8-15(21)10-16(22)17(12)18(23)24-11/h3,5,8,10-11,14,20-22H,2,4,6-7,9H2,1H3/b5-3+
InChIKey GJFPDPNMJOCHCT-HWKANZROSA-N
Mol Weight 334.37 g/mol
Molecular Formula C18H22O6
Exact Mass 334.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1OgnKQHUyaK
Name 1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,5,6,9,10-hexahydro-5,14,16-trihydroxy-3-methyl-, [3S-(3R*,5R*,11E)]-
CAS Registry Number 40785-65-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O6
InChI InChI=1S/C18H22O6/c1-11-7-14(20)9-13(19)6-4-2-3-5-12-8-15(21)10-16(22)17(12)18(23)24-11/h3,5,8,10-11,14,20-22H,2,4,6-7,9H2,1H3/b5-3+
InChIKey GJFPDPNMJOCHCT-HWKANZROSA-N
Molecular Weight 334.368 g/mol
SMILES OC1CC(CCC\C=C\c2c(c(cc(c2)O)O)C(OC(C1)C)=O)=O
SPLASH splash10-01p9-1920000000-d0b2e6c01b12dd23edbf
Source of Spectrum MY-1981-0-0
Synonyms 5,14,16-Trihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
Wiley ID 1330868