(Q56670514)

English

5β-pregnane

chemical compound

5beta-pregnane

In more languages

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Statements

instance of

type of chemical entity

0 references

subclass of

pregnane

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chemical structure

5β-Pregnane.svg
1,025 × 835; 19 KB

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mass

288.281701152 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

1 reference

C₂₁H₃₆

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canonical SMILES

CCC1CCC2C3CCC4CCCCC4(C)C3CCC12C

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCCC4)C)C

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Identifiers

InChI

InChI=1S/C21H36/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h15-19H,4-14H2,1-3H3/t15-,16-,17-,18-,19-,20-,21+/m0/s1

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InChIKey

JWMFYGXQPXQEEM-NUNROCCHSA-N

2 references

stated in

PubChem

stated in

ChEBI release 2020-09-01

CAS Registry Number

481-26-5

1 reference

InChIKey

JWMFYGXQPXQEEM-NUNROCCHSA-N

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=481-26-5

0 references

1 reference

matched by identifier from

InChIKey

JWMFYGXQPXQEEM-NUNROCCHSA-N

ChEBI ID

20674

mapping relation type

exact match

2 references

stated in

ChEBI release 2019-10-02

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C21H36/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h15-19H,4-14H2,1-3H3/t15-,16-,17-,18-,19-,20-,21+/m0/s1

1 reference

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

matched by identifier from

InChIKey

JWMFYGXQPXQEEM-NUNROCCHSA-N

DSSTOX compound identifier

DTXCID30282514

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EC number

637-176-9

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.164.905

retrieved

27 December 2018

title

5β-Pregnane (English)

quotation

CAS no.: 481-26-5 (English)

ECHA Substance Infocard ID

100.164.905

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.164.905

retrieved

27 December 2018

title

5β-Pregnane (English)

quotation

CAS no.: 481-26-5 (English)

UNII

10Z78HHV4C

1 reference

matched by identifier from

InChIKey

JWMFYGXQPXQEEM-NUNROCCHSA-N

Google Knowledge Graph ID

/g/11fctqnq3t

0 references

Sitelinks

Wikipedia(1 entry)

enwiki 5β-Pregnane

(Q56670514)

5β-pregnane

Statements

Identifiers

Sitelinks

Wikipedia(1 entry)

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