(Q105035695)

English

5-[(1S,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

5-(5,5,8a-Trimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl)-3-methylpent-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

318.21949482 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3-Oxoanticopalic Acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₀O₃

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canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Callicarpa macrophylla

1 reference

stated in

Bioactive Diterpenoids from the Leaves of Callicarpa macrophylla

Callicarpa dolichophylla

1 reference

stated in

Bioactive diterpenes from Callicarpa longissima.

Callicarpa longissima

1 reference

stated in

Bioactive diterpenes from Callicarpa longissima.

Identifiers

InChI

InChI=1S/C20H30O3/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/h12,15-16H,2,6-11H2,1,3-5H3,(H,22,23)/t15-,16-,20+/m0/s1

0 references

InChIKey

HZIPQMQRBXJVNO-TWOQFEAHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HZIPQMQRBXJVNO-TWOQFEAHSA-N

(Q105035695)

5-[(1S,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid

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Identifiers

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