(Q105381375)

English

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

chemical compound

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default for all languages

No label defined

No description defined

Statements

type of chemical entity

0 references

5-[7-Hydroxy-2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

336.230059504 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₂O₄

0 references

canonical SMILES

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

0 references

isomeric SMILES

C/C(=C\C(=O)O)CC[C@@H]1C(CO)=CC[C@@H]2C(C)(C)C[C@@H](O)C[C@@]12C

0 references

Dodonaea microzyga

1 reference

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

Identifiers

InChI=1S/C20H32O4/c1-13(9-18(23)24)5-7-16-14(12-21)6-8-17-19(2,3)10-15(22)11-20(16,17)4/h6,9,15-17,21-22H,5,7-8,10-12H2,1-4H3,(H,23,24)/b13-9+/t15-,16-,17-,20+/m1/s1

0 references

ZQBRPFALTAJQEA-PFIPCELDSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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