(Q104953766)

English

methyl (1R,5Z,8R,12S)-1-methyl-3,10,13-trioxo-8-prop-1-en-2-yl-15-oxabicyclo[10.2.1]pentadec-5-ene-5-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

Methyl 1-methyl-3,10,13-trioxo-8-prop-1-en-2-yl-15-oxabicyclo[10.2.1]pentadec-5-ene-5-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

362.172938552 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (1S,8S,12R)-1-methyl-3,10,13-trioxo-8-prop-1-en-2-yl-15-oxabicyclo[10.2.1]pentadec-5-ene-5-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (1S,5E,8S,12S)-1-methyl-3,10,13-trioxo-8-prop-1-en-2-yl-15-oxabicyclo[10.2.1]pentadec-5-ene-5-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,5S,12S)-5-(1-Methylethenyl)-12-methyl-3,10,14-trioxo-15-oxabicyclo[10.2.1]pentadeca-7-ene-8-carboxylic acid methyl ester

1 reference

1 reference

C₂₀H₂₆O₆

0 references

canonical SMILES

O=C(OC)C1=CCC(C(=C)C)CC(=O)CC2OC(C)(CC(=O)C1)CC2=O

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isomeric SMILES

C=C(C)[C@@H]1C/C=C(\C(=O)OC)CC(=O)C[C@]2(C)CC(=O)[C@H](CC(=O)C1)O2

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found in taxon

Sinularia lochmodes

1 reference

stated in

New Norcembranoids from the Soft CoralSinularia Lochmodes

Sinularia scabra

1 reference

stated in

Scabrolides A-D, four new norditerpenoids isolated from the soft coral Sinularia scabra.

Identifiers

InChI

InChI=1S/C20H26O6/c1-12(2)13-5-6-14(19(24)25-4)8-16(22)10-20(3)11-17(23)18(26-20)9-15(21)7-13/h6,13,18H,1,5,7-11H2,2-4H3/b14-6-/t13-,18+,20-/m1/s1

0 references

InChIKey

CCRQLJVTUBLUBL-DZFYVLQKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CCRQLJVTUBLUBL-DZFYVLQKSA-N

(Q104953766)

methyl (1R,5Z,8R,12S)-1-methyl-3,10,13-trioxo-8-prop-1-en-2-yl-15-oxabicyclo[10.2.1]pentadec-5-ene-5-carboxylate

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