(Q105262463)

English

[(1R,2R,6S,7S,9S,10S,11S,12R,13S,14R)-2,6,9,11,13,14-hexahydroxy-11-[(2S)-1-hydroxypropan-2-yl]-7,10-dimethyl-3-methylidene-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[2,6,9,11,13,14-hexahydroxy-11-(1-hydroxypropan-2-yl)-7,10-dimethyl-3-methylidene-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

507.210446256 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₃NO₁₀

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canonical SMILES

O=C(OC1C(O)(C(C)CO)C2(C)C3(O)OC45C(O)C(=C)CCC4(O)C(C)(C3)C1(O)C52O)C6=CC=CN6

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isomeric SMILES

C=C1CC[C@]2(O)[C@]3(C)C[C@]4(O)O[C@@]2([C@@H]1O)[C@]1(O)[C@@]3(O)[C@H](OC(=O)c2ccc[nH]2)[C@](O)([C@@H](C)CO)[C@]41C

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1 reference

Identifiers

InChI

InChI=1S/C25H33NO10/c1-12-7-8-20(30)18(3)11-21(31)19(4)22(32,13(2)10-27)17(35-16(29)14-6-5-9-26-14)23(18,33)25(19,34)24(20,36-21)15(12)28/h5-6,9,13,15,17,26-28,30-34H,1,7-8,10-11H2,2-4H3/t13-,15+,17+,18-,19-,20-,21-,22+,23+,24+,25+/m0/s1

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InChIKey

SVUNMRMTAXARBS-YSOSZROBSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105262463)

[(1R,2R,6S,7S,9S,10S,11S,12R,13S,14R)-2,6,9,11,13,14-hexahydroxy-11-[(2S)-1-hydroxypropan-2-yl]-7,10-dimethyl-3-methylidene-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate

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