(Q104939007)

English

[(1S,2S,5S,6R,7S,9R,10R,11R,13S,14S)-9,10,14-trihydroxy-5,9,14-trimethyl-4-oxo-3,12-dioxatetracyclo[8.4.0.02,6.011,13]tetradecan-7-yl] 2-methylbutanoate

group of stereoisomers with the chemical formula C₂₀H₃₀O₈

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Statements

instance of

group of stereoisomers

0 references

subclass of

guaiane sesquiterpenoid

1 reference

inferred from

guaiane sesquiterpenoid

mass

398.19406792 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₀O₈

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canonical SMILES

O=C(OC1CC(O)(C)C2(O)C3OC3C(O)(C)C2C4OC(=O)C(C)C14)C(C)CC

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isomeric SMILES

CCC(C)C(=O)O[C@H]1C[C@@](C)(O)[C@@]2(O)[C@@H]([C@H]3OC(=O)[C@@H](C)[C@H]13)[C@](C)(O)[C@H]1O[C@H]12

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found in taxon

Otanthus maritimus

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stated in

Highly oxygenated guaianolides from Otanthus maritimus

Identifiers

InChI

InChI=1S/C20H30O8/c1-6-8(2)16(21)26-10-7-18(4,23)20(25)13(19(5,24)14-15(20)28-14)12-11(10)9(3)17(22)27-12/h8-15,23-25H,6-7H2,1-5H3/t8?,9-,10-,11+,12-,13-,14-,15+,18+,19-,20+/m0/s1

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InChIKey

BNSRRGINQVIFFG-FRRZKKIMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BNSRRGINQVIFFG-FRRZKKIMSA-N

(Q104939007)

[(1S,2S,5S,6R,7S,9R,10R,11R,13S,14S)-9,10,14-trihydroxy-5,9,14-trimethyl-4-oxo-3,12-dioxatetracyclo[8.4.0.02,6.011,13]tetradecan-7-yl] 2-methylbutanoate

Statements

Identifiers

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