(Q105205832)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

5-(1,2,4a-trimethyl-5-methylidene-hexahydro-2H-naphthalen-1-yl)-3-methylpentanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

306.255880328 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₄O₂

0 references

canonical SMILES

O=C(O)CC(C)CCC1(C)C(C)CCC2(C(=C)CCCC21)C

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isomeric SMILES

C=C1CCC[C@@H]2[C@@](C)(CC[C@H](C)CC(=O)O)[C@H](C)CC[C@@]12C

0 references

found in taxon

Ageratina ixiocladon

1 reference

stated in

Ent-clerodane derivatives and other constituents from representatives of the subgenus Ageratina

Identifiers

InChI

InChI=1S/C20H34O2/c1-14(13-18(21)22)9-11-19(4)16(3)10-12-20(5)15(2)7-6-8-17(19)20/h14,16-17H,2,6-13H2,1,3-5H3,(H,21,22)/t14-,16+,17+,19-,20-/m0/s1

0 references

InChIKey

PCLLARKXULWKJD-CIJNOWTPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PCLLARKXULWKJD-CIJNOWTPSA-N

(Q105205832)

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

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Identifiers

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