(Q104996586)

English

Chrysothame

chemical compound

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instance of

type of chemical entity

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subclass of

2-[2',3a,7,7-tetramethyl-1-(2-oxopropyl)spiro[4,5,6,7a-tetrahydro-1H-2-benzofuran-3,5'-oxolane]-2'-yl]acetic acid

1 reference

based on heuristic

inferred from SMILES

mass

352.224974124 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2-[(1S,2'R,3R,3aR,7aR)-2',3a,7,7-tetramethyl-1-(2-oxopropyl)spiro[4,5,6,7a-tetrahydro-1H-2-benzofuran-3,5'-oxolane]-2'-yl]acetic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₂O₅

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canonical SMILES

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

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isomeric SMILES

CC(=O)C[C@H]1O[C@]2(CC[C@@](C)(CC(=O)O)O2)[C@@]2(C)CCCC(C)(C)[C@H]12

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1 reference

1 reference

Ericameria paniculata

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stated in

Constituents of Chrysothamnus paniculatus (Compositae): chrysothame, a new diterpene and 6-oxogrindelic acid

Identifiers

InChI

InChI=1S/C20H32O5/c1-13(21)11-14-16-17(2,3)7-6-8-19(16,5)20(24-14)10-9-18(4,25-20)12-15(22)23/h14,16H,6-12H2,1-5H3,(H,22,23)/t14-,16+,18+,19+,20+/m1/s1

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InChIKey

FKFUHHRKZZBUFR-KXAOQFNBSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FKFUHHRKZZBUFR-KXAOQFNBSA-N

1 reference

(Q104996586)

Chrysothame

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