(Q76415533)

English

[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] butanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

hydrocortisone 21-butyrate

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based on heuristic

inferred from SMILES

mass

432.2511888719999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₅H₃₆O₆

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canonical SMILES

CCCC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O

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Identifiers

InChI

InChI=1S/C25H36O6/c1-4-5-21(29)31-14-20(28)25(30)11-9-18-17-7-6-15-12-16(26)8-10-23(15,2)22(17)19(27)13-24(18,25)3/h12,17-19,22,27,30H,4-11,13-14H2,1-3H3/t17-,18-,19-,22+,23-,24-,25-/m0/s1

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InChIKey

YZNQMPPBWQTLFJ-TUFAYURCSA-N

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CAS Registry Number

6677-99-2

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stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

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2 references

inferred from InChIKey

matched by identifier from

InChIKey

YZNQMPPBWQTLFJ-TUFAYURCSA-N

1 reference

1 reference

matched by identifier from

InChIKey

YZNQMPPBWQTLFJ-TUFAYURCSA-N

Probes And Drugs ID

PD159657

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(Q76415533)

[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] butanoate

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Identifiers

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