(Q82916353)

English

3-[(2,6-Dideoxyhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide

chemical compound

In more languages

Statements

group of stereoisomers

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chemical compound

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504.3087037479999 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₄O₇

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1OC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)CC(O)C1O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC1O[C@@H](O[C@H]2CC[C@]3(C)C4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)C4CC[C@@H]3C2)CC(O)[C@@H]1O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C29H44O7/c1-16-26(32)23(30)14-25(35-16)36-19-6-9-27(2)18(13-19)4-5-22-21(27)7-10-28(3)20(8-11-29(22,28)33)17-12-24(31)34-15-17/h12,16,18-23,25-26,30,32-33H,4-11,13-15H2,1-3H3/t16?,18-,19+,20-,21?,22?,23?,25+,26-,27+,28-,29+/m1/s1

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NQOMDNMTNVQXRR-JHCLBYLPSA-N

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CAS Registry Number

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1 reference

26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID201368279

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