(Q105215089)

English

(3R)-5-[(1S,2R,4aR,5R,8aR)-1,2,4a-trimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-3-methylpentanoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

(3S)-5-[(1S,5S,6R,8aR)-5,6,8a-trimethyl-hexahydro-2H-spiro[naphthalene-1,2'-oxiran]-5-yl]-3-methylpentanoic acid

1 reference

based on heuristic

inferred from SMILES

5-{5,6,8a-trimethyl-hexahydro-2H-spiro[naphthalene-1,2'-oxiran]-5-yl}-3-methylpentanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

322.250794948 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3R)-5-[(1S,2R,4aR,5S,8aR)-1,2,4a-trimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-3-methylpentanoic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3S)-5-[(1S,2R,4aR,5S,8aR)-1,2,4a-trimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-3-methylpentanoic acid

1 reference

based on heuristic

inferred from InChI

(3S)-5-[(1S,2R,4aR,5R,8aR)-1,2,4a-trimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-3-methylpentanoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₄O₃

0 references

canonical SMILES

O=C(O)CC(C)CCC1(C)C(C)CCC2(C)C1CCCC32OC3

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isomeric SMILES

C[C@H](CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CCC[C@]21CO1)CC(=O)O

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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/C20H34O3/c1-14(12-17(21)22)7-10-18(3)15(2)8-11-19(4)16(18)6-5-9-20(19)13-23-20/h14-16H,5-13H2,1-4H3,(H,21,22)/t14-,15-,16-,18+,19-,20+/m1/s1

0 references

InChIKey

PUHARPBFZXPUIA-NUBKVZTMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PUHARPBFZXPUIA-NUBKVZTMSA-N

(Q105215089)

(3R)-5-[(1S,2R,4aR,5R,8aR)-1,2,4a-trimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-3-methylpentanoic acid

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