(Q76800274)

English

[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] hydrogen sulfate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

3-Hydroxyandrostan-17-yl hydrogen sulfate

1 reference

based on heuristic

inferred from SMILES

mass

372.1970451239999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

(3beta,5alpha,17beta)-3-hydroxyandrostan-17-yl sulfate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₉H₃₂O₅S

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canonical SMILES

CC12CCC(O)CC1CCC1C2CCC2(C)C(OS(=O)(=O)O)CCC12

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4OS(=O)(=O)O)C)O

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Identifiers

InChI

InChI=1S/C19H32O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h12-17,20H,3-11H2,1-2H3,(H,21,22,23)/t12-,13+,14-,15-,16-,17-,18-,19-/m0/s1

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InChIKey

KWYNDVHEQWYGIL-KHOSGYARSA-N

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CAS Registry Number

24869-99-6

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

retrieved

25 January 2022

PubChem CID

74765134

1 reference

matched by identifier from

InChIKey

KWYNDVHEQWYGIL-KHOSGYARSA-N

ChEBI ID

133103

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C19H32O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h12-17,20H,3-11H2,1-2H3,(H,21,22,23)/t12-,13+,14-,15-,16-,17-,18-,19-/m0/s1

(Q76800274)

[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] hydrogen sulfate

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