(Q105006236)

English

methyl (1R,2S,5E,7E)-2-acetyloxy-1-methyl-16-oxo-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-5-carboxylate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

Methyl 2-acetyloxy-1-methyl-16-oxo-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-5-carboxylate

1 reference

based on heuristic

inferred from SMILES

methyl (7E)-2-(acetyloxy)-8-isopropyl-1-methyl-16-oxo-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-5-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

404.219888744 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (1S,2R)-2-acetyloxy-1-methyl-16-oxo-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-5-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (1S,2S,5E,7E)-2-acetyloxy-1-methyl-16-oxo-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-5-carboxylate

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (1S,2S,5E,7Z)-2-acetyloxy-1-methyl-16-oxo-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-5-carboxylate

1 reference

1 reference

methyl (1S,2S)-2-acetyloxy-1-methyl-16-oxo-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-5-carboxylate

1 reference

based on heuristic

inferred from InChI

methyl (1S,2R,5Z,7E)-2-acetyloxy-1-methyl-16-oxo-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-5-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₃H₃₂O₆

0 references

canonical SMILES

O=C(OC)C1=CC=C(CCC2=CCCC(OC2=O)(C)C(OC(=O)C)CC1)C(C)C

0 references

isomeric SMILES

COC(=O)/C1=C/C=C(/C(C)C)CCC2=CCC[C@@](C)(OC2=O)[C@@H](OC(C)=O)CC1

0 references

found in taxon

Sarcophyton crassocaule

1 reference

stated in

Cytotoxic diterpenoids from the soft coral Sarcophyton crassocaule.

Identifiers

InChI

InChI=1S/C23H32O6/c1-15(2)17-8-10-18-7-6-14-23(4,29-22(18)26)20(28-16(3)24)13-12-19(11-9-17)21(25)27-5/h7,9,11,15,20H,6,8,10,12-14H2,1-5H3/b17-9+,19-11+/t20-,23+/m0/s1

0 references

InChIKey

GCDVQIVAHBRSQZ-XMJLPXKFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GCDVQIVAHBRSQZ-XMJLPXKFSA-N

(Q105006236)

methyl (1R,2S,5E,7E)-2-acetyloxy-1-methyl-16-oxo-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-5-carboxylate

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