(Q105291558)

English

4-[(1E)-2-[(1R,2R,3S,4R,4aR,8aS)-3,4-Bis(acetyloxy)-1,2,3,4,4a,7,8,8a-octahydro-2-hydroxy-1,2,4a,5-tetramethyl-1-naphthalenyl]ethenyl]-2(5H)-furanone

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

clerodane diterpenoid

0 references

mass

432.214803364 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2S,3R,4R,4aS,8aR)-2-acetyloxy-3-hydroxy-3,4,8,8a-tetramethyl-4-[2-(5-oxo-2H-furan-3-yl)ethenyl]-2,4a,5,6-tetrahydro-1H-naphthalen-1-yl] acetate

1 reference

based on heuristic

inferred from InChIKey

chemical formula

C₂₄H₃₂O₇

0 references

canonical SMILES

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

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isomeric SMILES

CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@]2(C)C(C)=CCC[C@@H]2[C@@](C)(/C=C/C2=CC(=O)OC2)[C@@]1(C)O

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found in taxon

Scutellaria barbata

2 references

stated in

Neo-clerodane diterpenoids from Scutellaria barbata with activity against Epstein-Barr virus lytic replication

stated in

Bioactive ent-clerodane diterpenoids from Scutellaria barbata

Identifiers

InChI

InChI=1S/C24H32O7/c1-14-8-7-9-18-22(4,11-10-17-12-19(27)29-13-17)24(6,28)21(31-16(3)26)20(23(14,18)5)30-15(2)25/h8,10-12,18,20-21,28H,7,9,13H2,1-6H3/b11-10+/t18-,20+,21+,22-,23+,24+/m1/s1

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InChIKey

VQWPROISONEVNZ-GIOJCLGXSA-N

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CAS Registry Number

1015776-94-9

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VQWPROISONEVNZ-GIOJCLGXSA-N

1 reference

1 reference

matched by identifier from

InChIKey

VQWPROISONEVNZ-GIOJCLGXSA-N

(Q105291558)

4-[(1E)-2-[(1R,2R,3S,4R,4aR,8aS)-3,4-Bis(acetyloxy)-1,2,3,4,4a,7,8,8a-octahydro-2-hydroxy-1,2,4a,5-tetramethyl-1-naphthalenyl]ethenyl]-2(5H)-furanone

Statements

Identifiers

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