(Q105142697)

English

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

chemical compound

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instance of

type of chemical entity

0 references

subclass of

clerodane diterpenoid

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mass

452.219888744 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₂O₆

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canonical SMILES

O=C1OCC(C=CC2(C)C3CCC=C(C)C3(C)C(OC(=O)C=4C=CC=CC4)C(O)C2(O)C)=C1

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isomeric SMILES

CC1=CCC[C@H]2[C@@]1(C)[C@@H](OC(=O)c1ccccc1)[C@H](O)[C@](C)(O)[C@]2(C)/C=C/C1=CC(=O)OC1

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found in taxon

Scutellaria barbata

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stated in

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

Identifiers

InChI

InChI=1S/C27H32O6/c1-17-9-8-12-20-25(2,14-13-18-15-21(28)32-16-18)27(4,31)22(29)23(26(17,20)3)33-24(30)19-10-6-5-7-11-19/h5-7,9-11,13-15,20,22-23,29,31H,8,12,16H2,1-4H3/b14-13+/t20-,22+,23+,25-,26+,27+/m1/s1

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InChIKey

KLMMDOWRUHAJIA-VGEMKEAXSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KLMMDOWRUHAJIA-VGEMKEAXSA-N

1 reference

(Q105142697)

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

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Identifiers

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