(Q105331882)

English

(1S,8S,10S)-3,4-dihydroxy-8-methoxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one

group of stereoisomers with the chemical formula C₂₁H₂₈O₅

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instance of

group of stereoisomers

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360.193673996 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₈O₅

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canonical SMILES

O=C1OC2C(OC)C3=CC(=C(O)C(O)=C3C14CCCC(C)(C)C24)C(C)C

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isomeric SMILES

CO[C@H]1c2cc(C(C)C)c(O)c(O)c2[C@]23CCCC(C)(C)[C@@H]2C1OC3=O

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Identifiers

InChI

InChI=1S/C21H28O5/c1-10(2)11-9-12-13(15(23)14(11)22)21-8-6-7-20(3,4)18(21)17(16(12)25-5)26-19(21)24/h9-10,16-18,22-23H,6-8H2,1-5H3/t16-,17?,18-,21+/m0/s1

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InChIKey

XNPVHIQPSAZTLC-GKJHVQIUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XNPVHIQPSAZTLC-GKJHVQIUSA-N

(Q105331882)

(1S,8S,10S)-3,4-dihydroxy-8-methoxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one

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