Mrv0541 04141512002D          

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M  END
> <ID>
CHEBI:70563

> <NAME>
(-)-(4S,5S,10R,20S)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-methyl acetal

> <DEFINITION>
An abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana.

> <STAR>
3

> <IUPAC_NAME>
(20S)-20-methoxy-19,20-epoxyabieta-8,11,13-trien-12-ol

> <FORMULA>
C21H30O3

> <MASS>
330.46110

> <MONOISOTOPIC_MASS>
330.21949

> <CHARGE>
0

> <SMILES>
CO[C@H]1OC[C@@]2(C)CCC[C@]11[C@H]2CCc2cc(C(C)C)c(O)cc12

> <INCHI>
InChI=1S/C21H30O3/c1-13(2)15-10-14-6-7-18-20(3)8-5-9-21(18,16(14)11-17(15)22)19(23-4)24-12-20/h10-11,13,18-19,22H,5-9,12H2,1-4H3/t18-,19-,20+,21-/m0/s1

> <INCHIKEY>
UBQQOJDZHPQINO-BURNTYAHSA-N

> <REAXYS_REGISTRY_NUMBER>
21097466

> <PUBMED_CITATION>
20961093

$$$$