(Q104933225)

English

[(E)-5-[(1R,4aS,6S,8aS)-6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl] 3-methylbutanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[5-(6-Hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-methylpent-2-enyl] 3-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

390.313395204 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(E)-5-[(1R,4aS,6S,8aR)-6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl] 3-methylbutanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₄₂O₃

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canonical SMILES

O=C(OCC=C(C)CCC1C(=CCC2C(C)(C)C(O)CCC12C)C)CC(C)C

0 references

isomeric SMILES

CC1=CC[C@@H]2C(C)(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/COC(=O)CC(C)C

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found in taxon

Corymbium villosum

1 reference

stated in

Macrolide diterpenes and other ent-labdanes from corymbium villosum

Identifiers

InChI

InChI=1S/C25H42O3/c1-17(2)16-23(27)28-15-13-18(3)8-10-20-19(4)9-11-21-24(5,6)22(26)12-14-25(20,21)7/h9,13,17,20-22,26H,8,10-12,14-16H2,1-7H3/b18-13+/t20-,21-,22+,25+/m1/s1

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InChIKey

BENJKNYADAOTQA-IPDWYJBHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BENJKNYADAOTQA-IPDWYJBHSA-N

(Q104933225)

[(E)-5-[(1R,4aS,6S,8aS)-6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl] 3-methylbutanoate

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Identifiers

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