(Q105185538)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

labdanes

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mass

320.235144884 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₂O₃

0 references

canonical SMILES

O=C(O)C=C(C)CCC1C(=CCC2C(C)(C)CC(O)CC12C)C

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isomeric SMILES

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

0 references

found in taxon

Dodonaea microzyga

1 reference

stated in

The chemistry of Dodonaea spp. VII. ent-Labdanes from D. microzyga (Sapindaceae)

Identifiers

InChI

InChI=1S/C20H32O3/c1-13(10-18(22)23)6-8-16-14(2)7-9-17-19(3,4)11-15(21)12-20(16,17)5/h7,10,15-17,21H,6,8-9,11-12H2,1-5H3,(H,22,23)/b13-10+/t15-,16-,17-,20-/m1/s1

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InChIKey

NTNFYYGHKNLKIO-ZAERSSSSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NTNFYYGHKNLKIO-ZAERSSSSSA-N

(Q105185538)

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

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Identifiers

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