(Q105154545)

English

5-[(1R,4aS,6S,8aS)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

5-(6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpent-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,4aS,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid

1 reference

based on heuristic

inferred from InChI

3-Hydroxycopalic acid

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

3Beta-Hydroxycopalic Acid

1 reference

based on heuristic

inferred from InChI

(2E)-5-[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₂O₃

0 references

canonical SMILES

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

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isomeric SMILES

C=C1CC[C@@H]2C(C)(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CCC(C)=CC(=O)O

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found in taxon

Copaifera

1 reference

stated in

Terpenes from Copaifera demonstrated in vitro antiparasitic and synergic activity.

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/h12,15-17,21H,2,6-11H2,1,3-5H3,(H,22,23)/t15-,16-,17+,20+/m1/s1

0 references

InChIKey

LNWOKEZJIRLIDO-WWNBULGVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LNWOKEZJIRLIDO-WWNBULGVSA-N

(Q105154545)

5-[(1R,4aS,6S,8aS)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid

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Identifiers

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