(Q82809788)

English

5-[(1S,2R,4aR,8aS)-5-Hydroxy-1,2,4a,5-tetramethyldecahydronaphthalen-1-yl]-3-methylpent-2-enoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

clerodane diterpenoid

1 reference

based on heuristic

inferred from SMILES

mass

322.25079494799996 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(E)-5-[(1S,2R,4aR,5R,8aR)-5-hydroxy-1,2,4a,5-tetramethyl-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-methylpent-2-enoic acid

1 reference

based on heuristic

inferred from InChI

(Z)-5-[(1S,2R,4aR,5R,8aR)-5-hydroxy-1,2,4a,5-tetramethyl-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-methylpent-2-enoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₄O₃

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based on heuristic

inferred from SMILES

canonical SMILES

CC(=CC(=O)O)CCC1(C)C(C)CCC2(C)C1CCCC2(C)O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC(=CC(=O)O)CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@H]1CCCC2(C)O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C20H34O3/c1-14(13-17(21)22)8-11-18(3)15(2)9-12-19(4)16(18)7-6-10-20(19,5)23/h13,15-16,23H,6-12H2,1-5H3,(H,21,22)/t15-,16+,18+,19-,20?/m1/s1

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InChIKey

KGKQMWYCRSQMPF-ULARDTLWSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

KGKQMWYCRSQMPF-ULARDTLWSA-N

1 reference

1 reference

matched by identifier from

InChIKey

KGKQMWYCRSQMPF-ULARDTLWSA-N

DSSTOX compound identifier

DTXCID90776606

0 references

(Q82809788)

5-[(1S,2R,4aR,8aS)-5-Hydroxy-1,2,4a,5-tetramethyldecahydronaphthalen-1-yl]-3-methylpent-2-enoic acid

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