3?-Hydroxy-16,28-Secosolanida-5,22(28)-Dien-24-One
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Product Description
Product
3?-Hydroxy-16,28-Secosolanida-5,22(28)-Dien-24-One
CAS
986-45-8
Formula
C27H41NO2
Synonym
(3beta,20S,21R)-21-(4,5-Dihydro-4-methyl-3H-pyrrol-2-yl)-3-hydroxy-20-methylpregn-5-en-21-one; 3ß-Hydroxy-16,28-secosolanida-5,22(28)-dien-24-one; NSC 80773; Pregn-5-en-21-one, 21-(4,5-dihydro-4-methyl-3H-pyrrol-2-yl)-3-hydroxy-20-methyl-, (3beta,20S,21(R))- (9CI); Tomatillidine
Typical Product Specifications
SMILES
C[C@@H]1CC(=NC1)C(=O)C(C)[C@H]2CCC3[C@@]2(CCC4C3CC=C5[C@@]4(CC[C@@H](C5)O)C)C
InChI
HIBLNBRXFIYJIP-VQRAIGOVSA-N
InChIKey
1S/C27H41NO2/c1-16-13-24(28-15-16)25(30)17(2)21-7-8-22-20-6-5-18-14-19(29)9-11-26(18,3)23(20)10-12-27(21,22)4/h5,16-17,19-23,29H,6-15H2,1-4H3/t16-,17?,19+,20?,21-,22?,23?,26+,27-/m1/s1
Class
3?-Hydroxy-16,28-Secosolanida-5,22(28)-Dien-24-One
Product Description
Product
3?-Hydroxy-16,28-Secosolanida-5,22(28)-Dien-24-One
CAS
986-45-8
Formula
C27H41NO2
Synonym
(3beta,20S,21R)-21-(4,5-Dihydro-4-methyl-3H-pyrrol-2-yl)-3-hydroxy-20-methylpregn-5-en-21-one; 3ß-Hydroxy-16,28-secosolanida-5,22(28)-dien-24-one; NSC 80773; Pregn-5-en-21-one, 21-(4,5-dihydro-4-methyl-3H-pyrrol-2-yl)-3-hydroxy-20-methyl-, (3beta,20S,21(R))- (9CI); Tomatillidine
Typical Product Specifications
SMILES
C[C@@H]1CC(=NC1)C(=O)C(C)[C@H]2CCC3[C@@]2(CCC4C3CC=C5[C@@]4(CC[C@@H](C5)O)C)C
InChI
HIBLNBRXFIYJIP-VQRAIGOVSA-N
InChIKey
1S/C27H41NO2/c1-16-13-24(28-15-16)25(30)17(2)21-7-8-22-20-6-5-18-14-19(29)9-11-26(18,3)23(20)10-12-27(21,22)4/h5,16-17,19-23,29H,6-15H2,1-4H3/t16-,17?,19+,20?,21-,22?,23?,26+,27-/m1/s1
Class
