(Q105284709)

English

[(1E,3S,4R,7E,12S)-3-acetyloxy-12-hydroxy-7,11-dimethyl-4-prop-1-en-2-ylcyclotetradeca-1,7,10-trien-1-yl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

cembrane

0 references

mass

404.256274252 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,2S,3E,7R,8E,11E)-2-Acetoxy-4-(acetoxymethyl)-1-isopropenyl-8,12-dimethylcyclotetradeca-3,8,11-triene-7-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1E,3S,4R,7E,10Z,12S)-3-acetyloxy-12-hydroxy-7,11-dimethyl-4-prop-1-en-2-ylcyclotetradeca-1,7,10-trien-1-yl]methyl acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₄H₃₆O₅

0 references

canonical SMILES

O=C(OCC1=CC(OC(=O)C)C(C(=C)C)CCC(=CCC=C(C)C(O)CC1)C)C

0 references

isomeric SMILES

C=C(C)[C@H]1CC/C(C)=C/CC=C(C)[C@@H](O)CC/C(COC(C)=O)=C\[C@@H]1OC(C)=O

0 references

found in taxon

Eunicea knighti

1 reference

stated in

Cembranoid diterpenes from the Caribbean sea whip Eunicea knighti

Identifiers

InChI

InChI=1S/C24H36O5/c1-16(2)22-12-10-17(3)8-7-9-18(4)23(27)13-11-21(15-28-19(5)25)14-24(22)29-20(6)26/h8-9,14,22-24,27H,1,7,10-13,15H2,2-6H3/b17-8+,18-9?,21-14+/t22-,23+,24+/m1/s1

0 references

InChIKey

VEMVDCAUWIBDLU-JRSRHVPASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VEMVDCAUWIBDLU-JRSRHVPASA-N

(Q105284709)

[(1E,3S,4R,7E,12S)-3-acetyloxy-12-hydroxy-7,11-dimethyl-4-prop-1-en-2-ylcyclotetradeca-1,7,10-trien-1-yl]methyl acetate

Statements

Identifiers

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