Estriol 16,17-diacetate

• Catalog Number: ACM805265
• Product Name: Estriol 16,17-diacetate
• CAS: 805-26-5
• Category: Steroidal Compounds
• Synonyms: ESTRIOL 16,17-DIACETATE;1,3,5[10]-ESTRATRIEN-3,16ALPHA,17BETA-TRIOL 16,17-DIACETATE;ESTRIOL 16,17-DIACETATE MM(CRM STANDARD);oestriol diacetate;1,3,5(10)-Estratrien-3,16α,17β-triol 16,17-diacetate;1,3,5(10)-Estratrien-3,16a,17b-triol 16,17-diacetate
• IUPAC Name: [(8R,9S,13S,14S,16R,17R)-17-acetyloxy-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]acetate
• Molecular Weight: 372.45
• Molecular Formula: C₂₂H₂₈O₅
• Canonical SMILES: CC(=O)OC1CC2C3CCC4=C(C3CCC2(C1OC(=O)C)C)C=CC(=C4)O
• InChI Key: OSRHRAOBVGHGFZ-BTOHRNCKSA-N
• Boiling Point: 497.4ºC at 760 mmHg
• Flash Point: 169ºC
• Density: 1.23g/cm³
• Exact Mass: 372.19400
• Hazard Statements: Xn: Harmful
• Safety Description: S22-S36

Custom Q&A

What is the molecular formula of Estriol 16,17-diacetate?

The molecular formula of Estriol 16,17-diacetate is C22H28O5.

What is the PubChem CID of Estriol 16,17-diacetate?

The PubChem CID of Estriol 16,17-diacetate is 14016192.

What is the IUPAC name of Estriol 16,17-diacetate?

The IUPAC name of Estriol 16,17-diacetate is [(8R,9S,13S,14S,16R,17R)-17-acetyloxy-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] acetate.

What is the InChI of Estriol 16,17-diacetate?

The InChI of Estriol 16,17-diacetate is InChI=1S/C22H28O5/c1-12(23)26-20-11-19-18-6-4-14-10-15(25)5-7-16(14)17(18)8-9-22(19,3)21(20)27-13(2)24/h5,7,10,17-21,25H,4,6,8-9,11H2,1-3H3/t17-,18-,19+,20-,21+,22+/m1/s1.

What is the InChIKey of Estriol 16,17-diacetate?

The InChIKey of Estriol 16,17-diacetate is OSRHRAOBVGHGFZ-BTOHRNCKSA-N.

What is the Canonical SMILES of Estriol 16,17-diacetate?

The Canonical SMILES of Estriol 16,17-diacetate is CC(=O)OC1CC2C3CCC4=C(C3CCC2(C1OC(=O)C)C)C=CC(=C4)O.

What is the molecular weight of Estriol 16,17-diacetate?

The molecular weight of Estriol 16,17-diacetate is 372.5 g/mol.

What is the XLogP3 value of Estriol 16,17-diacetate?

The XLogP3 value of Estriol 16,17-diacetate is 3.6.

What is the hydrogen bond donor count of Estriol 16,17-diacetate?

The hydrogen bond donor count of Estriol 16,17-diacetate is 1.

What is the hydrogen bond acceptor count of Estriol 16,17-diacetate?

The hydrogen bond acceptor count of Estriol 16,17-diacetate is 5.