(Q104948053)

English

(3aR,6R,7S,7aR)-7-[(3S)-4-carboxy-3-methylbutyl]-3,3a,6,7-tetramethyl-4,5,6,7a-tetrahydro-1H-indene-2-carboxylic acid

chemical compound

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instance of

type of chemical entity

0 references

1 reference

7-(4-carboxy-3-methylbutyl)-3,3a,6,7-tetramethyl-4,5,6,7a-tetrahydro-1H-indene-2-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

336.230059504 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3aR,6R,7S,7aR)-7-[(3R)-4-carboxy-3-methylbutyl]-3,3a,6,7-tetramethyl-4,5,6,7a-tetrahydro-1H-indene-2-carboxylic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₂O₄

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canonical SMILES

O=C(O)C1=C(C)C2(C)CCC(C)C(C)(CCC(C)CC(=O)O)C2C1

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isomeric SMILES

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

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found in taxon

Clausena dunniana

1 reference

stated in

Two new ring A-rearranged clerodane diterpenes, dunniana acids A and B, from Clausena dunniana

Clausena anisata

1 reference

stated in

Two new ring A-rearranged clerodane diterpenes, dunniana acids A and B, from Clausena dunniana

Identifiers

InChI

InChI=1S/C20H32O4/c1-12(10-17(21)22)6-8-19(4)13(2)7-9-20(5)14(3)15(18(23)24)11-16(19)20/h12-13,16H,6-11H2,1-5H3,(H,21,22)(H,23,24)/t12-,13+,16+,19-,20-/m0/s1

0 references

InChIKey

BXKYVIXFZNEZFP-LKHQYBHASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BXKYVIXFZNEZFP-LKHQYBHASA-N

(Q104948053)

(3aR,6R,7S,7aR)-7-[(3S)-4-carboxy-3-methylbutyl]-3,3a,6,7-tetramethyl-4,5,6,7a-tetrahydro-1H-indene-2-carboxylic acid

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