Androst-5-ene-3b,7b,17b-triol

CAS

2697-85-0

Catalog Number

ACM2697850

Category

Steroidal Compounds

Molecular Weight

306.44

Molecular Formula

C₁₉H₃₀O₃

MSDS COA Spec Sheet

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Specification

Synonyms

ANDROST-5-EN-3B ,7,17B -TRIOL;Androst-5-ene-3b,7,17b-triol

IUPAC Name

(3S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7,17-triol

Canonical SMILES

CC12CCC3C(C1CCC2O)C(C=C4C3(CCC(C4)O)C)O

InChI Key

OEVZKEVBDIDVOI-DYAQEOPHSA-N

Exact Mass

306.21900

What is the molecular formula of Androst-5-ene-3b,7b,17b-triol?

The molecular formula of Androst-5-ene-3b,7b,17b-triol is C19H30O3.

What are the synonyms for Androst-5-ene-3b,7b,17b-triol?

The synonyms for Androst-5-ene-3b,7b,17b-triol are 5-Androsten-3beta-,7alpha,17beta-triol and SCHEMBL4358310.

What is the molecular weight of Androst-5-ene-3b,7b,17b-triol?

The molecular weight of Androst-5-ene-3b,7b,17b-triol is 306.4 g/mol.

What is the IUPAC name of Androst-5-ene-3b,7b,17b-triol?

The IUPAC name of Androst-5-ene-3b,7b,17b-triol is (3S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7,17-triol.

What is the InChI of Androst-5-ene-3b,7b,17b-triol?

The InChI of Androst-5-ene-3b,7b,17b-triol is InChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-17,20-22H,3-9H2,1-2H3/t12-,13-,14-,15?,16-,17-,18-,19-/m0/s1.

What is the InChIKey of Androst-5-ene-3b,7b,17b-triol?

The InChIKey of Androst-5-ene-3b,7b,17b-triol is OEVZKEVBDIDVOI-DYAQEOPHSA-N.

What is the Canonical SMILES of Androst-5-ene-3b,7b,17b-triol?

The Canonical SMILES of Androst-5-ene-3b,7b,17b-triol is CC12CCC3C(C1CCC2O)C(C=C4C3(CCC(C4)O)C)O.

What is the Isomeric SMILES of Androst-5-ene-3b,7b,17b-triol?

The Isomeric SMILES of Androst-5-ene-3b,7b,17b-triol is C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C(C=C4[C@@]3(CC[C@@H](C4)O)C)O.

What is the XLogP3 value of Androst-5-ene-3b,7b,17b-triol?

The XLogP3 value of Androst-5-ene-3b,7b,17b-triol is 2.4.

Is Androst-5-ene-3b,7b,17b-triol a canonicalized compound?

Yes, Androst-5-ene-3b,7b,17b-triol is a canonicalized compound.

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