(Q105188616)

English

(3R)-5-[(3aR,4S,5R,7aR)-2-formyl-1,4,5,7a-tetramethyl-3a,5,6,7-tetrahydro-3H-inden-4-yl]-3-methylpentanoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

5-[(3aR,4S,5R,7aR)-2-formyl-1,4,5,7a-tetramethyl-3a,5,6,7-tetrahydro-3H-inden-4-yl]-3-methylpentanoic acid

1 reference

based on heuristic

inferred from SMILES

5-(2-formyl-1,4,5,7a-tetramethyl-3a,5,6,7-tetrahydro-3H-inden-4-yl)-3-methylpentanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

320.235144884 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₂O₃

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canonical SMILES

O=CC1=C(C)C2(C)CCC(C)C(C)(CCC(C)CC(=O)O)C2C1

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isomeric SMILES

CC1=C(C=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

2 references

stated in

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

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/C20H32O3/c1-13(10-18(22)23)6-8-19(4)14(2)7-9-20(5)15(3)16(12-21)11-17(19)20/h12-14,17H,6-11H2,1-5H3,(H,22,23)/t13-,14-,17-,19+,20+/m1/s1

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InChIKey

OACSWPFHEOKUGW-IKWNAHHTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OACSWPFHEOKUGW-IKWNAHHTSA-N

(Q105188616)

(3R)-5-[(3aR,4S,5R,7aR)-2-formyl-1,4,5,7a-tetramethyl-3a,5,6,7-tetrahydro-3H-inden-4-yl]-3-methylpentanoic acid

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