(Q105205413)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

378.240624188 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₄O₅

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canonical SMILES

O=C(O)C=C(COC(=O)C)CCC1C(=C)CCC2C(C)(C)CC(O)CC12C

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isomeric SMILES

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

0 references

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/C22H34O5/c1-14-6-9-19-21(3,4)11-17(24)12-22(19,5)18(14)8-7-16(10-20(25)26)13-27-15(2)23/h10,17-19,24H,1,6-9,11-13H2,2-5H3,(H,25,26)/b16-10-/t17-,18-,19-,22+/m1/s1

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InChIKey

PBSVBSJTGGGHRK-SCLAUAAYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PBSVBSJTGGGHRK-SCLAUAAYSA-N

(Q105205413)

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

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