(Q104375437)

English

(2R,4R,5S,7S,12S,16S)-15-[(2S,3R,4R,5R)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one

group of stereoisomers with the chemical formula C₂₈H₄₈O₆

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instance of

group of stereoisomers

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1 reference

480.34508925599994 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₈H₄₈O₆

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canonical SMILES

O=C1OCC2C3CCC(C(C)C(O)C(O)C(C)C(C)C)C3(C)CCC2C4(C)CC(O)C(O)CC14

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isomeric SMILES

CC(C)[C@@H](C)[C@@H](O)[C@H](O)[C@@H](C)C1CC[C@H]2C3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)C3CC[C@]12C

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Identifiers

InChI

InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16+,17?,18?,19+,20?,21-,22+,23-,24-,25-,27-,28-/m1/s1

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InChIKey

IXVMHGVQKLDRKH-FUFWTINHSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

IXVMHGVQKLDRKH-FUFWTINHSA-N

1 reference

(Q104375437)

(2R,4R,5S,7S,12S,16S)-15-[(2S,3R,4R,5R)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one

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