3'',4-O-Dimethylcedrusin - CAS 166021-14-3
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Catalog Number: R074758
CAS Number: 166021-14-3
PubChem Substance ID:459318885
Molecular Formula: C21H26O6
Molecular Weight:
Purity: ≥95%
* For research use only. Not for human or veterinary use.
Property
Molecular Formula: | C21H26O6 |
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Molecular Weight | |
Purity | ≥95% |
Computed Descriptor
IUPAC Name | 3-[(2S,3R)-2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol |
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InChI | InChI=1S/C21H26O6/c1-24-17-7-6-14(11-18(17)25-2)20-16(12-23)15-9-13(5-4-8-22)10-19(26-3)21(15)27-20/h6-7,9-11,16,20,22-23H,4-5,8,12H2,1-3H3/t16-,20+/m0/s1 |
InChIKey | UVPCDEDIFJYIPT-OXJNMPFZSA-N |
SMILES | COC1=C(C=C(C=C1)C2C(C3=C(O2)C(=CC(=C3)CCCO)OC)CO)OC |