(Q105033746)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

390.277009696 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₈O₄

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canonical SMILES

O=C(O)C=C(COC(=O)C(C)C)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(C)C

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found in taxon

Chrysocephalum ambiguum

1 reference

stated in

Ent-labdanes, manoyloxide and helipterol derivatives from Chrysocephalum ambiguum

Leiocarpa semicalva

1 reference

stated in

Ent-labdanes, manoyloxide and helipterol derivatives from Chrysocephalum ambiguum

Identifiers

InChI

InChI=1S/C24H38O4/c1-16(2)22(27)28-15-18(14-21(25)26)9-10-19-17(3)8-11-20-23(4,5)12-7-13-24(19,20)6/h14,16,19-20H,3,7-13,15H2,1-2,4-6H3,(H,25,26)/b18-14-/t19-,20-,24+/m1/s1

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InChIKey

HUECDSPUQRRQQA-UDGBHWGVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HUECDSPUQRRQQA-UDGBHWGVSA-N

(Q105033746)

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

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Identifiers

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