(Q105152969)

English

(4aR,5S,6R,8aR)-5-[2-[(2S)-2-methoxy-5-oxo-2H-furan-4-yl]ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

15-Methoxypatagonic acid

1 reference

1 reference

362.20932406 dalton

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based on heuristic

inferred from SMILES

stereoisomer of

(4aR,5S,6R,8aS)-5-[2-[(2S)-2-methoxy-5-oxo-2H-furan-4-yl]ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₀O₅

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canonical SMILES

O=C(O)C1=CCCC2C1(C)CCC(C)C2(C)CCC3=CC(OC3=O)OC

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isomeric SMILES

CO[C@@H]1C=C(CC[C@@]2(C)[C@H](C)CC[C@@]3(C)C(C(=O)O)=CCC[C@H]23)C(=O)O1

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found in taxon

Grangea maderaspatana

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stated in

Clerodane derivatives from Grangea maderaspatana

Rydingia limbata

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stated in

Four New Diterpenoids fromBallota limbata

Nanuza plicata

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stated in

3',8"-biisokaempferide, a cytotoxic biflavonoid and other chemical constituents of Nanuza plicata (Velloziaceae)

Identifiers

InChI

InChI=1S/C21H30O5/c1-13-8-10-21(3)15(18(22)23)6-5-7-16(21)20(13,2)11-9-14-12-17(25-4)26-19(14)24/h6,12-13,16-17H,5,7-11H2,1-4H3,(H,22,23)/t13-,16-,17+,20+,21+/m1/s1

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InChIKey

LKCDRCCSEGFFNK-JIVFAJJISA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LKCDRCCSEGFFNK-JIVFAJJISA-N

1 reference

(Q105152969)

(4aR,5S,6R,8aR)-5-[2-[(2S)-2-methoxy-5-oxo-2H-furan-4-yl]ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid

Statements

Identifiers

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