(Q105349723)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-[4-(Hydroxymethyl)-2',4,7,8a-tetramethyl-5-oxospiro[1,2,3,4a-tetrahydronaphthalene-8,5'-oxolane]-2'-yl]acetic acid

1 reference

based on heuristic

inferred from SMILES

mass

350.20932406 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₀O₅

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canonical SMILES

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

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isomeric SMILES

CC1=CC(=O)[C@@H]2[C@](C)(CCC[C@@]2(C)CO)[C@@]12CC[C@@](C)(CC(=O)O)O2

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found in taxon

Grindelia hirsutula

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stated in

Diterpenoid acids from Grindelia nana

1 reference

1 reference

Diterpenoid acids from Grindelia nana

Identifiers

InChI

InChI=1S/C20H30O5/c1-13-10-14(22)16-17(2,12-21)6-5-7-19(16,4)20(13)9-8-18(3,25-20)11-15(23)24/h10,16,21H,5-9,11-12H2,1-4H3,(H,23,24)/t16-,17-,18-,19-,20+/m0/s1

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InChIKey

YKJKZQHYTCDZKN-VYJAJWGXSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YKJKZQHYTCDZKN-VYJAJWGXSA-N

1 reference

(Q105349723)

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

Statements

Identifiers

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