(Q110194149)

English

5-[(4aS,8aS)-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]-3-methylpent-2-enoic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

318.21949482 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₀O₃

0 references

canonical SMILES

O=C(O)C=C(C)CCC1=C(C(=O)CC2C1(C)CCCC2(C)C)C

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isomeric SMILES

CC(=CC(=O)O)CCC1=C(C)C(=O)C[C@H]2C(C)(C)CCC[C@]12C

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found in taxon

Plectranthus ornatus

1 reference

stated in

Antimycobacterial metabolites from Plectranthus: royleanone derivatives against Mycobacterium tuberculosis strains

Identifiers

InChI

InChI=1S/C20H30O3/c1-13(11-18(22)23)7-8-15-14(2)16(21)12-17-19(3,4)9-6-10-20(15,17)5/h11,17H,6-10,12H2,1-5H3,(H,22,23)/t17-,20+/m0/s1

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InChIKey

MSLXIYYWGHOJNU-FXAWDEMLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MSLXIYYWGHOJNU-FXAWDEMLSA-N

(Q110194149)

5-[(4aS,8aS)-2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]-3-methylpent-2-enoic acid

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Identifiers

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