(Q106030608)

English

17-epiestriol 3-O-(beta-D-glucuronide)

chemical compound

16alpha,17alpha-dihydroxyestra-1(10),2,4-trien-3-yl beta-D-glucopyranosiduronic acid

In more languages

Statements

type of chemical entity

0 references

estrane steroid

1 reference

based on heuristic

inferred from SMILES

464.2046326039999 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

16-epiestriol 3-O-(beta-D-glucuronide)

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

estriol 3-O-(beta-D-glucuronide)

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₄H₃₂O₉

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC12CCC3c4ccc(OC5OC(C(=O)O)C(O)C(O)C5O)cc4CCC3C1CC(O)C2O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@]12CC[C@@H]3c4ccc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@H]2O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(32-23-19(28)17(26)18(27)20(33-23)22(30)31)8-10(12)2-4-14(13)15(24)9-16(25)21(24)29/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,21-,23-,24+/m1/s1

1 reference

ChEBI release 2021-03-01

UZKIAJMSMKLBQE-PHEYUCJMSA-N

1 reference

ChEBI release 2021-03-01

2 references

ChEBI release 2021-03-01

matched by identifier from

UZKIAJMSMKLBQE-PHEYUCJMSA-N

mapping relation type

2 references

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(32-23-19(28)17(26)18(27)20(33-23)22(30)31)8-10(12)2-4-14(13)15(24)9-16(25)21(24)29/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,21-,23-,24+/m1/s1

UniChem compound ID

1 reference

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