(Q105271832)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

labdanes

0 references

mass

322.250794948 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChIKey

1-Naphthalenepentanoic acid, decahydro-3-hydroxy-beta,5,5,8a-tetramethyl-2-methylene-, (betaR,1S,3S,4aR,8aR)-

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₄O₃

0 references

canonical SMILES

O=C(O)CC(C)CCC1C(=C)C(O)CC2C(C)(C)CCCC12C

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isomeric SMILES

C=C1[C@H](O)C[C@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC[C@H](C)CC(=O)O

0 references

found in taxon

Cistus symphytifolius

1 reference

stated in

Labdane diterpenes from Cistus symphytifolius

Identifiers

InChI

InChI=1S/C20H34O3/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/h13,15-17,21H,2,6-12H2,1,3-5H3,(H,22,23)/t13-,15-,16+,17-,20-/m0/s1

0 references

InChIKey

UFGJFRRXTBBPQS-SVKXURNBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UFGJFRRXTBBPQS-SVKXURNBSA-N

(Q105271832)

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

Statements

Identifiers

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