(Q105278349)

English

(1R,3R,4aR,5S,8aR)-3-hydroxy-1,4a-dimethyl-6-methylene-5-[(2E)-3-methylpenta-2,4-dienyl]decalin-1-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3-hydroxy-1,4a-dimethyl-6-methylidene-5-(3-methylpenta-2,4-dienyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

318.21949482 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,3R,4aR,5S,8aR)-3-hydroxy-1,4a-dimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,3R,4aS,5R,8aS)-3-hydroxy-1,4a-dimethyl-6-methylidene-5-[(2Z)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

1 reference

based on heuristic

inferred from InChI

(1S,3R,4aR,5S,8aR)-3-hydroxy-1,4a-dimethyl-6-methylidene-5-[(2Z)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₀O₃

0 references

canonical SMILES

O=C(O)C1(C)CC(O)CC2(C)C(C(=C)CCC12)CC=C(C=C)C

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isomeric SMILES

C=C/C(C)=C/C[C@H]1C(=C)CC[C@H]2[C@](C)(C(=O)O)C[C@H](O)C[C@]12C

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found in taxon

'Salvia africana-lutea' [ L. (1753) ]

1 reference

stated in

Bioactive diterpenes from Orthosiphon labiatus and Salvia africana-lutea

Salvia aurea

1 reference

stated in

Bioactive diterpenes from Orthosiphon labiatus and Salvia africana-lutea

Ocimum labiatum

1 reference

stated in

Bioactive diterpenes from Orthosiphon labiatus and Salvia africana-lutea

Identifiers

InChI

InChI=1S/C20H30O3/c1-6-13(2)7-9-16-14(3)8-10-17-19(16,4)11-15(21)12-20(17,5)18(22)23/h6-7,15-17,21H,1,3,8-12H2,2,4-5H3,(H,22,23)/b13-7+/t15-,16+,17-,19-,20-/m1/s1

0 references

InChIKey

USNLWGSHMJHWQY-FBIYPSPZSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

USNLWGSHMJHWQY-FBIYPSPZSA-N

1 reference

(Q105278349)

(1R,3R,4aR,5S,8aR)-3-hydroxy-1,4a-dimethyl-6-methylene-5-[(2E)-3-methylpenta-2,4-dienyl]decalin-1-carboxylic acid

Statements

Identifiers

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