(Q105120814)

English

(1S,2S,5S,6R,9R,11R,12R)-12-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-5,6,9-trihydroxy-11-methyl-8,14-dioxatetracyclo[7.6.0.01,6.02,12]pentadecan-13-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

12-[2-(Furan-3-yl)-2-hydroxyethyl]-5,6,9-trihydroxy-11-methyl-8,14-dioxatetracyclo[7.6.0.01,6.02,12]pentadecan-13-one

1 reference

based on heuristic

inferred from SMILES

mass

394.162767792 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆O₈

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canonical SMILES

O=C1OCC23C4CCC(O)C3(O)COC2(O)CC(C)C14CC(O)C5=COC=C5

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isomeric SMILES

C[C@@H]1C[C@@]2(O)OC[C@@]3(O)[C@@H](O)CC[C@H]4[C@@]23COC(=O)[C@@]41C[C@H](O)c1ccoc1

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found in taxon

Teucrium lepicephalum

1 reference

stated in

Neo-clerodane diterpenoids from teucrium lepicephalum and teucrium buxifolium

Identifiers

InChI

InChI=1S/C20H26O8/c1-11-6-20(25)18-9-27-16(23)17(11,7-13(21)12-4-5-26-8-12)14(18)2-3-15(22)19(18,24)10-28-20/h4-5,8,11,13-15,21-22,24-25H,2-3,6-7,9-10H2,1H3/t11-,13+,14-,15+,17-,18-,19-,20-/m1/s1

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InChIKey

IUTBXSWMWCPQMR-MVYSBBQWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IUTBXSWMWCPQMR-MVYSBBQWSA-N

(Q105120814)

(1S,2S,5S,6R,9R,11R,12R)-12-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-5,6,9-trihydroxy-11-methyl-8,14-dioxatetracyclo[7.6.0.01,6.02,12]pentadecan-13-one

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Identifiers

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