(Q105272351)

English

[(2S,3S,5S,8S,9S,10S,11R,15S)-3,9,10-trihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-15-yl] acetate

group of stereoisomers with the chemical formula C₂₂H₃₀O₇

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instance of

group of stereoisomers

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1 reference

406.1991533 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₀O₇

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canonical SMILES

O=C(OC1CCC(C)(C)C2C(O)C3(O)OCC12C4C(O)CC5C(=C)C(=O)C43C5)C

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isomeric SMILES

C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2C12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC(C)=O

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Identifiers

InChI

InChI=1S/C22H30O7/c1-10-12-7-13(24)15-20-9-28-22(27,21(15,8-12)17(10)25)18(26)16(20)19(3,4)6-5-14(20)29-11(2)23/h12-16,18,24,26-27H,1,5-9H2,2-4H3/t12-,13+,14+,15+,16-,18+,20?,21+,22-/m1/s1

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InChIKey

UGIAYRYHEATYSR-IOMPXQTISA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UGIAYRYHEATYSR-IOMPXQTISA-N

(Q105272351)

[(2S,3S,5S,8S,9S,10S,11R,15S)-3,9,10-trihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-15-yl] acetate

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