(Q105163395)

English

(1S,2R,3R,5R,10R,11R,14R,15S)-15-[(3S,5R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-2-hydroxyoxolan-3-yl]-3-hydroxy-2,6,6,10-tetramethylpentacyclo[12.3.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰]octadecan-7-one

group of stereoisomers with the chemical formula C₃₀H₄₆O₅

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Statements

instance of

group of stereoisomers

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subclass of

(1S,2R,5R,10R,11R,14R)-15-[(3S,5R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-2-hydroxyoxolan-3-yl]-3-hydroxy-2,6,6,10-tetramethylpentacyclo[12.3.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰]octadecan-7-one

1 reference

based on heuristic

inferred from SMILES

mass

486.3345245719999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₄₆O₅

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canonical SMILES

O=C1CCC2(C)C3CCC45CC5(CCC4C6CC(OC6O)C7OC7(C)C)C3(C)C(O)CC2C1(C)C

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isomeric SMILES

CC1(C)O[C@H]1[C@H]1C[C@@H]([C@@H]2CC[C@]34C[C@]23CC[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C[C@@H](O)[C@]24C)C(O)O1

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Identifiers

InChI

InChI=1S/C30H46O5/c1-25(2)20-14-22(32)28(6)19(27(20,5)10-9-21(25)31)8-11-29-15-30(28,29)12-7-17(29)16-13-18(34-24(16)33)23-26(3,4)35-23/h16-20,22-24,32-33H,7-15H2,1-6H3/t16-,17-,18+,19+,20-,22+,23-,24?,27+,28-,29+,30+/m0/s1

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InChIKey

MGLJZVUEWDJWMY-KDQXKTOQSA-N

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PubChem CID

101671907

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

MGLJZVUEWDJWMY-KDQXKTOQSA-N

1 reference

(Q105163395)

(1S,2R,3R,5R,10R,11R,14R,15S)-15-[(3S,5R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-2-hydroxyoxolan-3-yl]-3-hydroxy-2,6,6,10-tetramethylpentacyclo[12.3.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰]octadecan-7-one

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