(Q105140304)

English

barbatin D

chemical compound

[(1R,2S,3R,4R,4aS,8aR)-2-benzoyloxy-3-hydroxy-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
6,7-Dibenzoylbarbatin C

In more languages

Statements

type of chemical entity

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clerodane diterpenoid

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556.246103492 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₃₆O₇

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canonical SMILES

O=C1OCC(C=CC2(C)C3CCC=C(C)C3(C)C(OC(=O)C=4C=CC=CC4)C(OC(=O)C=5C=CC=CC5)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](OC(=O)c1ccccc1)[C@](C)(O)[C@]2(C)/C=C/C1=CC(=O)OC1

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Scutellaria barbata

1 reference

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

Identifiers

InChI=1S/C34H36O7/c1-22-12-11-17-26-32(2,19-18-23-20-27(35)39-21-23)34(4,38)29(41-31(37)25-15-9-6-10-16-25)28(33(22,26)3)40-30(36)24-13-7-5-8-14-24/h5-10,12-16,18-20,26,28-29,38H,11,17,21H2,1-4H3/b19-18+/t26-,28+,29+,32-,33+,34+/m1/s1

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KFCDYFIEEUOHGO-BIBCMZCLSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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