11ß,17,21-trihydroxypregn-4-ene-3,20-dione 17-benzoate
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Product Description
Product
11ß,17,21-trihydroxypregn-4-ene-3,20-dione 17-benzoate
CAS
28956-89-0
Formula
C28H34O6
Synonym
11beta,17,21-trihydroxypregn-4-ene-3,20-dione 17-benzoate; 17-(Benzoyloxy)-11ß,21-dihydroxypregn-4-ene-3,20-dione
Typical Product Specifications
Molecular weight
466.57
EINECS
249-328-8
SMILES
C=12[C@@]([C@H]3[C@H](C[C@@]4([C@@](OC(=O)c5ccccc5)(C(=O)CO)CC[C@@H]4[C@@H]3CC2)C)O)(CCC(=O)C1)C
InChI
LPEYMYDYPGRLBU-YGZHYJPASA-N
InChIKey
1S/C28H34O6/c1-26-12-10-19(30)14-18(26)8-9-20-21-11-13-28(23(32)16-29,27(21,2)15-22(31)24(20)26)34-25(33)17-6-4-3-5-7-17/h3-7,14,20-22,24,29,31H,8-13,15-16H2,1-2H3/t20-,21-,22-,24+,26-,27-,28-/m0/s1
Class
11ß,17,21-trihydroxypregn-4-ene-3,20-dione 17-benzoate
Product Description
Product
11ß,17,21-trihydroxypregn-4-ene-3,20-dione 17-benzoate
CAS
28956-89-0
Formula
C28H34O6
Synonym
11beta,17,21-trihydroxypregn-4-ene-3,20-dione 17-benzoate; 17-(Benzoyloxy)-11ß,21-dihydroxypregn-4-ene-3,20-dione
Typical Product Specifications
Molecular weight
466.57
EINECS
249-328-8
SMILES
C=12[C@@]([C@H]3[C@H](C[C@@]4([C@@](OC(=O)c5ccccc5)(C(=O)CO)CC[C@@H]4[C@@H]3CC2)C)O)(CCC(=O)C1)C
InChI
LPEYMYDYPGRLBU-YGZHYJPASA-N
InChIKey
1S/C28H34O6/c1-26-12-10-19(30)14-18(26)8-9-20-21-11-13-28(23(32)16-29,27(21,2)15-22(31)24(20)26)34-25(33)17-6-4-3-5-7-17/h3-7,14,20-22,24,29,31H,8-13,15-16H2,1-2H3/t20-,21-,22-,24+,26-,27-,28-/m0/s1
Class
