(Q82934381)

English

6-{[(11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl)oxy]carbonyl}cyclohex-3-ene-1-carboxylic acid

chemical compound

In more languages

Statements

group of stereoisomers

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chemical compound

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512.2410181119999 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₆O₈

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based on heuristic

inferred from SMILES

canonical SMILES

CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COC(=O)C1CC=CCC1C(=O)O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)C1CC=CCC1C(=O)O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C29H36O8/c1-27-11-9-17(30)13-16(27)7-8-20-21-10-12-29(36,28(21,2)14-22(31)24(20)27)23(32)15-37-26(35)19-6-4-3-5-18(19)25(33)34/h3-4,9,11,13,18-22,24,31,36H,5-8,10,12,14-15H2,1-2H3,(H,33,34)/t18?,19?,20-,21-,22-,24+,27-,28-,29-/m0/s1

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VNGWBSXDGQZSFL-JMNKBGBLSA-N

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CAS Registry Number

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VNGWBSXDGQZSFL-JMNKBGBLSA-N

CAS Common Chemistry

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=3331-71-3

1 reference

26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID401382948

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