(16b,17a)-Estra-1,3,5(10)-triene-3,16,17-triol

• CAS: 793-89-5
• Catalog Number: ACM793895
• Category: Steroidal Compounds
• Molecular Weight: 288.38
• Molecular Formula: C₁₈H₂₄O₃

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C18H24O3.

What is the molecular weight of the compound?

The molecular weight of the compound is 288.4 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is (8R,9S,13S,14S,16S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,17-,18+/m1/s1.

What is the InChIKey of the compound?

The InChIKey of the compound is PROQIPRRNZUXQM-LMMHAMTPSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES of the compound is CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O.

What is the CAS number of the compound?

The CAS number of the compound is 793-89-5.

What is the XLogP3 value of the compound?

The XLogP3 value of the compound is 2.5.

How many hydrogen bond donor counts does the compound have?

The compound has 3 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 3 hydrogen bond acceptor counts.