(Q105367420)

English

(1R,2S,6S,7S,9R,11R,12R)-12-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-7-hydroxy-11-methyl-8,14-dioxatetracyclo[7.6.0.01,6.02,12]pentadecan-13-one

chemical compound

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instance of

type of chemical entity

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subclass of

12-[2-(Furan-3-yl)-2-hydroxyethyl]-7-hydroxy-11-methyl-8,14-dioxatetracyclo[7.6.0.01,6.02,12]pentadecan-13-one

1 reference

based on heuristic

inferred from SMILES

(1S,2S,6S,7S,9R,11R)-12-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-7-hydroxy-11-methyl-8,14-dioxatetracyclo[7.6.0.0¹,⁶.0²,¹²]pentadecan-13-one

1 reference

based on heuristic

inferred from SMILES

mass

362.172938552 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,2S,6S,7S,9R,11R,12R)-12-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-7-hydroxy-11-methyl-8,14-dioxatetracyclo[7.6.0.01,6.02,12]pentadecan-13-one

1 reference

based on heuristic

inferred from InChIKey

chemical formula

C₂₀H₂₆O₆

0 references

canonical SMILES

O=C1OCC23C4OC(O)C3CCCC2C1(CC(O)C5=COC=C5)C(C)C4

0 references

isomeric SMILES

C[C@@H]1C[C@H]2O[C@H](O)[C@H]3CCC[C@@H]4[C@]1(C[C@H](O)c1ccoc1)C(=O)OC[C@]342

0 references

found in taxon

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/c1-11-7-16-20-10-25-18(23)19(11,8-14(21)12-5-6-24-9-12)15(20)4-2-3-13(20)17(22)26-16/h5-6,9,11,13-17,21-22H,2-4,7-8,10H2,1H3/t11-,13-,14+,15-,16-,17+,19-,20+/m1/s1

0 references

InChIKey

YWWWYEBJWPRKGZ-NFLROPNOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YWWWYEBJWPRKGZ-NFLROPNOSA-N

(Q105367420)

(1R,2S,6S,7S,9R,11R,12R)-12-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-7-hydroxy-11-methyl-8,14-dioxatetracyclo[7.6.0.01,6.02,12]pentadecan-13-one

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