(Q105344835)

English

(E)-5-[(1R,4aR,8aR)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-(hydroxymethyl)pent-2-enoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

5-(2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-(hydroxymethyl)pent-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

320.235144884 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(Z)-5-[(1R,4aR,8aR)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-(hydroxymethyl)pent-2-enoic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(Z)-5-[(1R,4aR,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-(hydroxymethyl)pent-2-enoic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₂O₃

0 references

canonical SMILES

O=C(O)C=C(CO)CCC1C(=CCC2C(C)(C)CCCC12C)C

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isomeric SMILES

CC1=CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(=C\C(=O)O)CO

0 references

found in taxon

Acritopappus confertus

1 reference

stated in

Diterpenes from acritopappus confertus

Identifiers

InChI

InChI=1S/C20H32O3/c1-14-6-9-17-19(2,3)10-5-11-20(17,4)16(14)8-7-15(13-21)12-18(22)23/h6,12,16-17,21H,5,7-11,13H2,1-4H3,(H,22,23)/b15-12+/t16-,17-,20+/m1/s1

0 references

InChIKey

XZCAMMNTVAQDPZ-WITNYINYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XZCAMMNTVAQDPZ-WITNYINYSA-N

(Q105344835)

(E)-5-[(1R,4aR,8aR)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-(hydroxymethyl)pent-2-enoic acid

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