(Q104914991)

English

(5S)-5-[(3R,8R,10S,11S,12S,15S,16R)-10-hydroxy-7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]-5-methyloxolan-2-one

group of stereoisomers with the chemical formula C₂₇H₄₀O₄

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Statements

group of stereoisomers

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chemical compound

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428.29265975999994 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₇H₄₀O₄

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canonical SMILES

O=C1OC(C)(CC1)C2CCC3(C)C4C(O)CC5C(C(=O)CCC65CC46CCC23C)(C)C

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isomeric SMILES

CC1(C)C(=O)CC[C@]23CC24CC[C@]2(C)[C@@H]([C@]5(C)CCC(=O)O5)CC[C@@]2(C)[C@@H]4[C@@H](O)C[C@@H]13

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Identifiers

InChI=1S/C27H40O4/c1-22(2)18-14-16(28)21-24(4)9-6-17(25(5)10-8-20(30)31-25)23(24,3)12-13-27(21)15-26(18,27)11-7-19(22)29/h16-18,21,28H,6-15H2,1-5H3/t16-,17-,18-,21-,23+,24-,25-,26+,27?/m0/s1

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AMXFRRZRLVMMCY-ZTCJLKTESA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

AMXFRRZRLVMMCY-ZTCJLKTESA-N

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