(Q105308828)

English

(Z)-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-[[(2R)-2-methylbutanoyl]oxymethyl]pent-2-enoic acid

chemical compound

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No label defined

No description defined

Statements

type of chemical entity

0 references

5-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-(2-methylbutanoyloxymethyl)pent-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

404.29265976 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₄₀O₄

0 references

canonical SMILES

O=C(O)C=C(COC(=O)C(C)CC)CCC1C(=C)CCC2C(C)(C)CCCC12C

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isomeric SMILES

C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(=C/C(=O)O)COC(=O)[C@H](C)CC

0 references

Chrysocephalum ambiguum

1 reference

Ent-labdanes, manoyloxide and helipterol derivatives from Chrysocephalum ambiguum

Leiocarpa semicalva

1 reference

Ent-labdanes, manoyloxide and helipterol derivatives from Chrysocephalum ambiguum

Identifiers

InChI=1S/C25H40O4/c1-7-17(2)23(28)29-16-19(15-22(26)27)10-11-20-18(3)9-12-21-24(4,5)13-8-14-25(20,21)6/h15,17,20-21H,3,7-14,16H2,1-2,4-6H3,(H,26,27)/b19-15-/t17-,20-,21-,25+/m1/s1

0 references

WMSWIRUSDBIJAR-OMKHYXDPSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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