Allotetrahydrocortisone

• Catalog Number: ACM547773
• Product Name: Allotetrahydrocortisone
• CAS: 547-77-3
• Category: Steroidal Compounds
• Synonyms: ALLO THE;ALLOTETRAHYDROCORTISONE;5-ALPHA-PREGNAN-3-BETA, 17,21-TRIOL-11,20-DIONE;5ALPHA-PREGNAN-3BETA,17ALPHA,21-TRIOL-11,20-DIONE;KENDALL'S COMPOUND 'G';REICHSTEIN'S SUBSTANCE 'D';WINTERSTEINER'S COMPOUND 'B';5A-pregnane-3A,17A,21-triol-11,20-*dione
• IUPAC Name: (3R,5S,8S,9S,10S,13S,14S,17R)-3,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
• Molecular Weight: 364.48
• Molecular Formula: C₂₁H₃₂O₅
• Canonical SMILES: CC12CCC(CC1CCC3C2C(=O)CC4(C3CCC4(C(=O)CO)O)C)O
• InChI Key: SYGWGHVTLUBCEM-TUJFWAKLSA-N
• Boiling Point: 544.5ºC at 760mmHg
• Flash Point: 297.1ºC
• Density: 1.249g/cm³
• EC Number: 208-936-3
• Exact Mass: 364.22500
• H-Bond Acceptor: 5
• H-Bond Donor: 3

Custom Q&A

What is the PubChem CID for allotetrahydrocortisone?

The PubChem CID for allotetrahydrocortisone is 101762.

What is the molecular formula of allotetrahydrocortisone?

The molecular formula of allotetrahydrocortisone is C21H32O5.

When was allotetrahydrocortisone created in PubChem?

Allotetrahydrocortisone was created in PubChem on August 8, 2005.

What is the IUPAC name of allotetrahydrocortisone?

The IUPAC name of allotetrahydrocortisone is (3R,5S,8S,9S,10S,13S,14S,17R)-3,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one.

What is the InChI of allotetrahydrocortisone?

The InChI of allotetrahydrocortisone is InChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13+,14-,15-,18+,19-,20-,21-/m0/s1.

What is the InChIKey of allotetrahydrocortisone?

The InChIKey of allotetrahydrocortisone is SYGWGHVTLUBCEM-TUJFWAKLSA-N.

What is the canonical SMILES of allotetrahydrocortisone?

The canonical SMILES of allotetrahydrocortisone is CC12CCC(CC1CCC3C2C(=O)CC4(C3CCC4(C(=O)CO)O)C)O.

What is the molecular weight of allotetrahydrocortisone?

The molecular weight of allotetrahydrocortisone is 364.5 g/mol.

What is the CAS number of allotetrahydrocortisone?

The CAS number of allotetrahydrocortisone is 547-77-3.

What is the XLogP3-AA value of allotetrahydrocortisone?

The XLogP3-AA value of allotetrahydrocortisone is 2.2.