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(+-)-trans-.alpha.-Toxicarol
SpectraBase Compound ID 1pmRigAIbXW
InChI InChI=1S/C23H22O7/c1-23(2)6-5-11-15(30-23)8-13(24)20-21(25)19-12-7-16(26-3)17(27-4)9-14(12)28-10-18(19)29-22(11)20/h5-9,18-19,24H,10H2,1-4H3/t18-,19-/m1/s1
InChIKey JLTNCZQNGBLBGO-RTBURBONSA-N
Mol Weight 410.42 g/mol
Molecular Formula C23H22O7
Exact Mass 410.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 634ImHi581Q
Name (+-)-trans-.alpha.-Toxicarol
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22O7
InChI InChI=1S/C23H22O7/c1-23(2)6-5-11-15(30-23)8-13(24)20-21(25)19-12-7-16(26-3)17(27-4)9-14(12)28-10-18(19)29-22(11)20/h5-9,18-19,24H,10H2,1-4H3/t18-,19-/m1/s1
InChIKey JLTNCZQNGBLBGO-RTBURBONSA-N
Molecular Weight 410.422 g/mol
SMILES Oc1c2c(O[C@]3([C@](C2=O)(c2c(cc(c(c2)OC)OC)OC3)[H])[H])c2C=CC(Oc2c1)(C)C
SPLASH splash10-01ox-0900600000-fcf933c514e81edbcf49
Source of Spectrum KC-0-2611-16
Synonyms (7aR,13aS)-6-Hydroxy-9,10-dimethoxy-3,3-dimethyl-13,13a-dihydro-3H,7aH-pyrano[2,3-c;6,5-f']dichromen-7-one (7aR,13aS)-6-hydroxy-9,10-dimethoxy-3,3-dimethyl-13,13a-dihydro-3H-chromeno[3,4-b]pyrano[2,3-h]chromen-7(7aH)-one
Wiley ID 779954