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14-Thia-4,12-dioxa-15-methoxypentacyclo[16.12.8.4.4.1(1,9).0(5,6).0(2,7).0(10,11)]docosa-heptaene
SpectraBase Compound ID 99Qt3owpRgd
InChI InChI=1S/C20H18O3S/c1-21-17-8-4-6-12-14-9-18-13-5-2-3-7-16(13)22-11-19(24-18)15(14)10-23-20(12)17/h2-9,14-15,19H,10-11H2,1H3/t14-,15-,19+/m1/s1
InChIKey LPPGHDWISSEGBT-CLCXKQKWSA-N
Mol Weight 338.42 g/mol
Molecular Formula C20H18O3S
Exact Mass 338.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HJgRd5W7ID2
Name 14-Thia-4,12-dioxa-15-methoxypentacyclo[16.12.8.4.4.1(1,9).0(5,6).0(2,7).0(10,11)]docosa-heptaene
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18O3S
InChI InChI=1S/C20H18O3S/c1-21-17-8-4-6-12-14-9-18-13-5-2-3-7-16(13)22-11-19(24-18)15(14)10-23-20(12)17/h2-9,14-15,19H,10-11H2,1H3/t14-,15-,19+/m1/s1
InChIKey LPPGHDWISSEGBT-CLCXKQKWSA-N
Molecular Weight 338.421 g/mol
SMILES C12=C[C@@]3(c4c(c(OC)ccc4)OC[C@]3([C@@](S1)(COc1c2cccc1)[H])[H])[H]
SPLASH splash10-0a4r-0009000000-f750b1288ae659d4f5ec
Source of Spectrum D1-1996-73-3
Synonyms (1R,2S,11R)-4,20-dioxa-22-thiapentacyclo[11.8.1.0(2,11).0(5,10).0(14,19)]docosa-5,7,9,12,14,16,18-heptaen-6-yl methyl ether (1R,2S,11R)-6-methoxy-4,20-dioxa-22-thiapentacyclo[11.8.1.0(2,11).0(5,10).0(14,19)]docosa-5,7,9,12,14,16,18-heptaene
Wiley ID 834816