(Q105246376)

English

3-[(E)-2-[(1R,2R,3S,4R,4aR,8aS)-2,3,4-trihydroxy-1,2,4a,5-tetramethyl-4,7,8,8a-tetrahydro-3H-naphthalen-1-yl]ethenyl]-2H-furan-5-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

3-[2-(2,3,4-trihydroxy-1,2,4a,5-tetramethyl-4,7,8,8a-tetrahydro-3H-naphthalen-1-yl)ethenyl]-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

mass

348.193673996 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3-[(E)-2-[(1S,2R,3S,4R,4aR,8aS)-2,3,4-trihydroxy-1,2,4a,5-tetramethyl-4,7,8,8a-tetrahydro-3H-naphthalen-1-yl]ethenyl]-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₅

0 references

canonical SMILES

O=C1OCC(C=CC2(C)C3CCC=C(C)C3(C)C(O)C(O)C2(O)C)=C1

0 references

isomeric SMILES

CC1=CCC[C@H]2[C@@]1(C)[C@@H](O)[C@H](O)[C@](C)(O)[C@]2(C)/C=C/C1=CC(=O)OC1

0 references

found in taxon

Scutellaria barbata

2 references

stated in

Bioactive ent-clerodane diterpenoids from Scutellaria barbata

stated in

neo-Clerodane diterpenoids from Scutellaria barbata with cytotoxic activities

Identifiers

InChI

InChI=1S/C20H28O5/c1-12-6-5-7-14-18(2,9-8-13-10-15(21)25-11-13)20(4,24)17(23)16(22)19(12,14)3/h6,8-10,14,16-17,22-24H,5,7,11H2,1-4H3/b9-8+/t14-,16+,17+,18-,19+,20+/m1/s1

0 references

InChIKey

RVXNORLERZFOTB-RMVVWZLHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RVXNORLERZFOTB-RMVVWZLHSA-N

1 reference

(Q105246376)

3-[(E)-2-[(1R,2R,3S,4R,4aR,8aS)-2,3,4-trihydroxy-1,2,4a,5-tetramethyl-4,7,8,8a-tetrahydro-3H-naphthalen-1-yl]ethenyl]-2H-furan-5-one

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