(Q105025156)

English

[(1S,2S,3S,4R,7S,8Z,10R,12S,13R,14S)-2,10,12,14-tetraacetyloxy-3-hydroxy-4,13-dimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadec-8-en-9-yl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(2,10,12,14-Tetraacetyloxy-3-hydroxy-4,13-dimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadec-8-en-9-yl)methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

608.24689134 dalton

1 reference

1 reference

C₃₀H₄₀O₁₃

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canonical SMILES

O=C(OCC1=CC2OC(=O)C(C)C2(O)C(OC(=O)C)C3C(=C)CCC(OC(=O)C)C3(C)C(OC(=O)C)CC1OC(=O)C)C

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isomeric SMILES

C=C1CC[C@H](OC(C)=O)[C@]2(C)[C@@H](OC(C)=O)C[C@@H](OC(C)=O)/C(COC(C)=O)=C\[C@@H]3OC(=O)[C@H](C)[C@@]3(O)[C@@H](OC(C)=O)[C@@H]12

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found in taxon

Junceella fragilis

1 reference

stated in

Frajunolides E-K, briarane diterpenes from Junceella fragilis

Identifiers

InChI

InChI=1S/C30H40O13/c1-14-9-10-23(40-18(5)33)29(8)24(41-19(6)34)12-22(39-17(4)32)21(13-38-16(3)31)11-25-30(37,15(2)28(36)43-25)27(26(14)29)42-20(7)35/h11,15,22-27,37H,1,9-10,12-13H2,2-8H3/b21-11-/t15-,22+,23-,24-,25-,26+,27-,29+,30-/m0/s1

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InChIKey

HAZWEKZEZWJVON-ACURZLRNSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105025156)

[(1S,2S,3S,4R,7S,8Z,10R,12S,13R,14S)-2,10,12,14-tetraacetyloxy-3-hydroxy-4,13-dimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadec-8-en-9-yl]methyl acetate

Statements

Identifiers

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