(Q104916453)

English

methyl (3aS,6E,14E,15aS)-6,14-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

344.198759376 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (3aS,6E,10E,14E,15aS)-6,14-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₈O₄

0 references

canonical SMILES

O=C(OC)C1=CCCC(=CC2OC(=O)C(=C)C2CCC(=CCC1)C)C

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isomeric SMILES

C=C1C(=O)O[C@H]2/C=C(\C)CCC=C(C(=O)OC)CC/C=C(\C)CC[C@@H]12

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found in taxon

Lobophytum crassum

1 reference

stated in

Cytotoxic and anti-inflammatory cembranoids from the soft coral Lobophytum crassum

Identifiers

InChI

InChI=1S/C21H28O4/c1-14-7-5-9-17(21(23)24-4)10-6-8-15(2)13-19-18(12-11-14)16(3)20(22)25-19/h7,10,13,18-19H,3,5-6,8-9,11-12H2,1-2,4H3/b14-7+,15-13+,17-10?/t18-,19-/m0/s1

0 references

InChIKey

APOQWKMQOYCBGK-POGMRUPASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

APOQWKMQOYCBGK-POGMRUPASA-N

(Q104916453)

methyl (3aS,6E,14E,15aS)-6,14-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylate

Statements

Identifiers

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