(Q105273421)

English

(E)-5-[(1R,4aS,5R,8aS)-5-(acetyloxymethyl)-5,8a-dimethyl-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-[5-(acetyloxymethyl)-5,8a-dimethyl-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

420.251188872 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(Z)-5-[(1R,4aS,5R,8aS)-5-(acetyloxymethyl)-5,8a-dimethyl-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

C₂₄H₃₆O₆

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canonical SMILES

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

0 references

isomeric SMILES

C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)COC(C)=O)[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/C24H36O6/c1-16-7-10-21-23(4,15-30-18(3)26)11-6-12-24(21,5)20(16)9-8-19(13-22(27)28)14-29-17(2)25/h13,20-21H,1,6-12,14-15H2,2-5H3,(H,27,28)/b19-13+/t20-,21-,23+,24+/m1/s1

0 references

InChIKey

UIKODHRRIJEZLZ-WYIYPUOHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UIKODHRRIJEZLZ-WYIYPUOHSA-N

(Q105273421)

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

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