(Q104909944)

English

(2R,5S)-4,4'aalpha,5,5',6',7',8',8'a-Octahydro-5'beta-hydroxy-2',5,5',8'abeta-tetramethyl-4'-oxospiro[furan-2(3H),1'(4'H)-naphthalene]-5-acetic acid methyl ester

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Methyl 2-(4-hydroxy-2',4,7,8a-tetramethyl-5-oxospiro[1,2,3,4a-tetrahydronaphthalene-8,5'-oxolane]-2'-yl)acetate

1 reference

based on heuristic

inferred from SMILES

mass

350.20932406 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl 2-[(2'R,4S,4aS,8S,8aR)-4-hydroxy-2',4,7,8a-tetramethyl-5-oxospiro[1,2,3,4a-tetrahydronaphthalene-8,5'-oxolane]-2'-yl]acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₀O₅

0 references

canonical SMILES

O=C(OC)CC1(OC2(C(=CC(=O)C3C(O)(C)CCCC32C)C)CC1)C

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isomeric SMILES

COC(=O)C[C@]1(C)CC[C@@]2(O1)C(C)=CC(=O)[C@H]1[C@@](C)(O)CCC[C@@]12C

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found in taxon

Grindelia hirsutula

1 reference

stated in

Diterpenoid acids from Grindelia nana

Grindelia nana

1 reference

stated in

Diterpenoid acids from Grindelia nana

Identifiers

InChI

InChI=1S/C20H30O5/c1-13-11-14(21)16-18(3,7-6-8-19(16,4)23)20(13)10-9-17(2,25-20)12-15(22)24-5/h11,16,23H,6-10,12H2,1-5H3/t16-,17+,18+,19+,20-/m1/s1

0 references

InChIKey

AEAWUZUAVVBDOI-JAZQRGJZSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104909944)

(2R,5S)-4,4'aalpha,5,5',6',7',8',8'a-Octahydro-5'beta-hydroxy-2',5,5',8'abeta-tetramethyl-4'-oxospiro[furan-2(3H),1'(4'H)-naphthalene]-5-acetic acid methyl ester

Statements

Identifiers

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