(Q105298277)

English

(1R,2R,6S,7R,11R,13R)-7-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-11-hydroxy-13-methylspiro[9-oxatricyclo[5.3.3.01,6]tridecane-2,2'-oxirane]-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-13'-methyl-9'-oxaspiro[oxirane-2,2'-tricyclo[5.3.3.0¹,⁶]tridecan]-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(O)CC(C)C1(CC(O)C4=COC=C4)C3CCCC52OC5

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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[C@]31CO1

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found in taxon

Teucrium oxylepis

1 reference

stated in

Teucrolivins D–F, neo-clerodane derivatives from Teucrium oliverianum

Teucrium polium

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C20H26O6/c1-12-7-16(22)20-11-25-17(23)19(12,8-14(21)13-4-6-24-9-13)15(20)3-2-5-18(20)10-26-18/h4,6,9,12,14-16,21-22H,2-3,5,7-8,10-11H2,1H3/t12-,14+,15-,16-,18+,19-,20+/m1/s1

0 references

InChIKey

VWTNGVAKKRKLJQ-NZMLQMEOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VWTNGVAKKRKLJQ-NZMLQMEOSA-N

(Q105298277)

(1R,2R,6S,7R,11R,13R)-7-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-11-hydroxy-13-methylspiro[9-oxatricyclo[5.3.3.01,6]tridecane-2,2'-oxirane]-8-one

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Identifiers

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