(Q105259856)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

mass

360.193673996 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

1 reference

1 reference

C₂₁H₂₈O₅

0 references

canonical SMILES

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

0 references

isomeric SMILES

COC(=O)/C1=C\C=C(/C(C)C)CCC2=CCC[C@@](C)(OC2=O)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/C21H28O5/c1-14(2)15-7-9-16-6-5-13-21(3,26-20(16)24)18(22)12-11-17(10-8-15)19(23)25-4/h6,8,10,14H,5,7,9,11-13H2,1-4H3/b15-8-,17-10-/t21-/m1/s1

0 references

InChIKey

SSRWHVBVQPAITB-QEJXVQPPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SSRWHVBVQPAITB-QEJXVQPPSA-N

(Q105259856)

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

Statements

Identifiers

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