(Q105140583)

English

(E)-5-[(1S,4aR,6S,8aS)-6-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

0 references

mass

320.235144884 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(Z)-5-[(1S,4aR,6S,8aS)-6-hydroxy-2,5,5,8a-tetramethyl-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

(E)-5-[(1S,4aR,6R,8aS)-6-hydroxy-2,5,5,8a-tetramethyl-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

C₂₀H₃₂O₃

0 references

canonical SMILES

O=C(O)C=C(C)CCC1C(=CCC2C(C)(C)C(O)CCC12C)C

0 references

isomeric SMILES

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

0 references

found in taxon

Ericameria nauseosa var. nauseosa

1 reference

stated in

Neue labdan-derivate aus Chrysothamnus nauseusus

Identifiers

InChI

InChI=1S/C20H32O3/c1-13(12-18(22)23)6-8-15-14(2)7-9-16-19(3,4)17(21)10-11-20(15,16)5/h7,12,15-17,21H,6,8-11H2,1-5H3,(H,22,23)/b13-12+/t15-,16-,17-,20-/m0/s1

0 references

InChIKey

KFWGTOAALSCZHD-PFOUIQEDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KFWGTOAALSCZHD-PFOUIQEDSA-N

(Q105140583)

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

Statements

Identifiers

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