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Cristacarpin
SpectraBase Compound ID GCf35v1WJxU
InChI InChI=1S/C21H22O5/c1-12(2)4-6-14-17(24-3)9-8-16-19(14)26-20-15-7-5-13(22)10-18(15)25-11-21(16,20)23/h4-5,7-10,20,22-23H,6,11H2,1-3H3/t20-,21+/m0/s1
InChIKey ZHPYEBFYLDGZKF-LEWJYISDSA-N
Mol Weight 354.4 g/mol
Molecular Formula C21H22O5
Exact Mass 354.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ANRypf60q1j
Name Cristacarpin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O5
InChI InChI=1S/C21H22O5/c1-12(2)4-6-14-17(24-3)9-8-16-19(14)26-20-15-7-5-13(22)10-18(15)25-11-21(16,20)23/h4-5,7-10,20,22-23H,6,11H2,1-3H3/t20-,21+/m0/s1
InChIKey ZHPYEBFYLDGZKF-LEWJYISDSA-N
Molecular Weight 354.402 g/mol
SMILES Oc1ccc2[C@]3([C@](c4c(O3)c(c(cc4)OC)CC=C(C)C)(COc2c1)O)[H]
SPLASH splash10-000i-0019000000-0a68af2cadd46ff69453
Source of Spectrum X2-56-1833-2
Synonyms (6aS,11aS)-9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydrobenzofuro[3,2-c][1]benzopyran-3,6a-diol (6aS,11aS)-9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a-diol
Wiley ID 1605160