(Q105179166)

English

(1R,6S,7R,11R,13R)-7-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-11-hydroxy-2-(hydroxymethyl)-13-methyl-9-oxatricyclo[5.3.3.01,6]tridec-2-en-8-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

7-[2-(Furan-3-yl)-2-hydroxyethyl]-11-hydroxy-2-(hydroxymethyl)-13-methyl-9-oxatricyclo[5.3.3.01,6]tridec-2-en-8-one

1 reference

based on heuristic

inferred from SMILES

mass

362.172938552 dalton

1 reference

1 reference

C₂₀H₂₆O₆

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canonical SMILES

O=C1OCC23C(=CCCC2C1(CC(O)C4=COC=C4)C(C)CC3O)CO

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isomeric SMILES

C[C@@H]1C[C@@H](O)[C@]23COC(=O)[C@@]1(C[C@H](O)c1ccoc1)[C@H]2CCC=C3CO

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found in taxon

Teucrium botrys

1 reference

stated in

Neo-clerodane diterpenoids from Teucrium botrys

Teucrium lamiifolium

1 reference

stated in

Teulamifin B, a neo-clerodane diterpenoid from Teucrium lamiifolium and T. Polium

Teucrium polium

2 references

stated in

Structure elucidation and hepatotoxicity evaluation against HepG2 human cells of neo-clerodane diterpenes from Teucrium polium L.

stated in

Teulamifin B, a neo-clerodane diterpenoid from Teucrium lamiifolium and T. Polium

Identifiers

InChI

InChI=1S/C20H26O6/c1-12-7-17(23)20-11-26-18(24)19(12,8-15(22)13-5-6-25-10-13)16(20)4-2-3-14(20)9-21/h3,5-6,10,12,15-17,21-23H,2,4,7-9,11H2,1H3/t12-,15+,16-,17-,19-,20+/m1/s1

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InChIKey

NGSYRDXEWFLBAS-LTPBQMFOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NGSYRDXEWFLBAS-LTPBQMFOSA-N

(Q105179166)

(1R,6S,7R,11R,13R)-7-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-11-hydroxy-2-(hydroxymethyl)-13-methyl-9-oxatricyclo[5.3.3.01,6]tridec-2-en-8-one

Statements

Identifiers

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