6-Ketoestriol

• CAS: 7323-86-6
• Catalog Number: ACM7323866
• Category: Steroidal Compounds
• Molecular Weight: 302.36
• Molecular Formula: C₁₈H₂₂O₄
• Synonyms: 6-KETOESTRIOL;1,3,5(10)-ESTRATRIEN-3,16-ALPHA, 17-BETA-TRIOL-6-ONE;3,16-ALPHA,17-BETA-TRIHYDROXY-1,3,5(10)-ESTRATRIEN-6-ONE;(16a,17b) 3,16,17-trihydroxy-Estra-1,3,5(10)-trien-6-one;oestriol-6-one
• IUPAC Name: (8R,9S,13S,14S,16R,17R)-3,16,17-trihydroxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-one
• Canonical SMILES: CC12CCC3C(C1CC(C2O)O)CC(=O)C4=C3C=CC(=C4)O
• InChI Key: PYFIDTBVOMQKDC-XCYHEEQWSA-N
• Exact Mass: 302.15200
• H-Bond Acceptor: 4
• H-Bond Donor: 3

Custom Q&A

What is the molecular formula of 6-Ketoestriol?

The molecular formula of 6-Ketoestriol is C18H22O4.

What is the molecular weight of 6-Ketoestriol?

The molecular weight of 6-Ketoestriol is 302.4 g/mol.

What role does 6-Ketoestriol have as a human urinary metabolite?

6-Ketoestriol has a role as a human urinary metabolite.

What is the IUPAC Name of 6-Ketoestriol?

The IUPAC Name of 6-Ketoestriol is (8R,9S,13S,14S,16R,17R)-3,16,17-trihydroxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-one.

What is the Canonical SMILES representation of 6-Ketoestriol?

The Canonical SMILES representation of 6-Ketoestriol is CC12CCC3C(C1CC(C2O)O)CC(=O)C4=C3C=CC(=C4)O.

How many hydrogen bond donor counts does 6-Ketoestriol have?

6-Ketoestriol has 3 hydrogen bond donor counts.

What is the exact mass of 6-Ketoestriol?

The exact mass of 6-Ketoestriol is 302.15180918 g/mol.

What is the topological polar surface area of 6-Ketoestriol?

The topological polar surface area of 6-Ketoestriol is 77.8Ų.

How many defined atom stereocenter counts does 6-Ketoestriol have?

6-Ketoestriol has 6 defined atom stereocenter counts.

What is the complexity of 6-Ketoestriol?

The complexity of 6-Ketoestriol is 478.