(Q120355482)

English

8alpha-3beta-hydroxy-estra-1,3,5(10)-trien-17-one

chemical compound

In more languages

Statements

type of chemical entity

0 references

(13S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

1 reference

based on heuristic

inferred from SMILES

270.161979944 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(8S,9S,13S,14R)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

1 reference

based on heuristic

inferred from InChIKey

(8R,9S,13S,14R)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

1 reference

based on heuristic

inferred from InChI

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₈H₂₂O₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC12CCC3c4ccc(O)cc4CCC3C1CCC2=O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C1C2[C@@]3([H])CC[C@]4(C)C(=O)CC[C@@]4([H])[C@@]3([H])CCC=2C=C(O)C=1

0 references

Identifiers

InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15+,16+,18+/m1/s1

1 reference

based on heuristic

inferred from SMILES

DNXHEGUUPJUMQT-CVYDXHPNSA-N

1 reference

based on heuristic

inferred from SMILES

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

DNXHEGUUPJUMQT-CVYDXHPNSA-N

UniChem compound ID

1 reference

1 reference

matched by identifier from

DNXHEGUUPJUMQT-CVYDXHPNSA-N

1 reference

matched by identifier from

DNXHEGUUPJUMQT-CVYDXHPNSA-N

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

5 November 2023

DNXHEGUUPJUMQT-CVYDXHPNSA-N

based on heuristic

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