(Q105117519)

English

(1'S,2S,2'S,3'R,5'S,7'S,8'S,9'R,10'R,13'S)-2',5',9',10'-tetrakis(acetyloxy)-1',13'-dihydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-7'-yl acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(2',5',9',10'-Tetraacetyloxy-1',13'-dihydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-7'-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

610.262541404 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

1 reference

C₃₀H₄₂O₁₃

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canonical SMILES

O=C(OC1C2=C(C)C(O)CC(O)(C(OC(=O)C)C3C4(OC4)C(OC(=O)C)CC(OC(=O)C)C3(C)C1OC(=O)C)C2(C)C)C

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isomeric SMILES

CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](O)C[C@@](O)([C@@H](OC(C)=O)[C@@H]2[C@]12CO2)C3(C)C

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Identifiers

InChI

InChI=1S/C30H42O13/c1-13-19(36)11-30(37)26(43-18(6)35)24-28(9,20(39-14(2)31)10-21(40-15(3)32)29(24)12-38-29)25(42-17(5)34)23(41-16(4)33)22(13)27(30,7)8/h19-21,23-26,36-37H,10-12H2,1-9H3/t19-,20-,21-,23+,24-,25-,26-,28+,29-,30+/m0/s1

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InChIKey

IPUWXKDQBBTGBE-IVYORAKTSA-N

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PubChem CID

5321730

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

IPUWXKDQBBTGBE-IVYORAKTSA-N

1 reference

(Q105117519)

(1'S,2S,2'S,3'R,5'S,7'S,8'S,9'R,10'R,13'S)-2',5',9',10'-tetrakis(acetyloxy)-1',13'-dihydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-7'-yl acetate

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