(Q104399890)

English

(1S,3R,7S,10R,13S,14R,18R,19R)-1-hydroxy-18-[1-hydroxy-1-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]propan-2-yl]-9,9,19-trimethyl-4,8,15-trioxahexacyclo[11.8.0.03,7.03,10.014,16.014,19]henicosan-5-one

group of stereoisomers with the chemical formula C₂₉H₄₀O₈

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

516.2723182399999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₉H₄₀O₈

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canonical SMILES

O=C1OC(C=C1C)C(O)C(C)C2CC3OC34C5CCC6C(OC7CC(=O)OC76CC5(O)CCC24C)(C)C

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isomeric SMILES

CC1=C[C@@H](C(O)C(C)[C@H]2CC3O[C@@]34[C@H]3CC[C@@H]5C(C)(C)O[C@H]6CC(=O)O[C@@]65C[C@@]3(O)CC[C@]24C)OC1=O

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Identifiers

InChI

InChI=1S/C29H40O8/c1-14-10-17(34-24(14)32)23(31)15(2)16-11-21-29(36-21)19-7-6-18-25(3,4)35-20-12-22(30)37-28(18,20)13-27(19,33)9-8-26(16,29)5/h10,15-21,23,31,33H,6-9,11-13H2,1-5H3/t15?,16-,17+,18-,19+,20+,21?,23?,26-,27+,28-,29+/m1/s1

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InChIKey

NOPJKUNZSJEAIR-JZDUUGHESA-N

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PubChem CID

138112700

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

NOPJKUNZSJEAIR-JZDUUGHESA-N

(Q104399890)

(1S,3R,7S,10R,13S,14R,18R,19R)-1-hydroxy-18-[1-hydroxy-1-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]propan-2-yl]-9,9,19-trimethyl-4,8,15-trioxahexacyclo[11.8.0.03,7.03,10.014,16.014,19]henicosan-5-one

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