(Q104887567)

English

(3R,4S,9R,13S,14R)-13-hydroxy-9-(hydroxymethyl)-3-[(2S,5S)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1¹,⁵]octadecane-7,11-dione

group of stereoisomers with the chemical formula C₃₁H₄₆O₁₀

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instance of

group of stereoisomers

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subclass of

(3R,4S,9R,13S,14R)-13-hydroxy-9-(hydroxymethyl)-3-[(2S)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1¹,⁵]octadecane-7,11-dione

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based on heuristic

inferred from SMILES

mass

578.309097672 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₁H₄₆O₁₀

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canonical SMILES

O=C1OC2CC3(OC(C(C)CCC(OC)C=4C=CC=C(O)C4)C2C)OC(O)(CC(=O)OC(CO)C1)C(C)CC3(C)C

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isomeric SMILES

CO[C@@H](CC[C@H](C)[C@H]1OC23CC(OC(=O)C[C@H](CO)OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H]1C)c1cccc(O)c1

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Identifiers

InChI

InChI=1S/C31H46O10/c1-18(10-11-24(37-6)21-8-7-9-22(33)12-21)28-20(3)25-15-31(40-28)29(4,5)14-19(2)30(36,41-31)16-27(35)38-23(17-32)13-26(34)39-25/h7-9,12,18-20,23-25,28,32-33,36H,10-11,13-17H2,1-6H3/t18-,19+,20-,23+,24-,25?,28+,30-,31?/m0/s1

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InChIKey

GKTXURNRIDXUNG-HEZDCOPHSA-N

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(Q104887567)

(3R,4S,9R,13S,14R)-13-hydroxy-9-(hydroxymethyl)-3-[(2S,5S)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1¹,⁵]octadecane-7,11-dione

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