WITHAFERIN A
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Product Description
Product
WITHAFERIN A
CAS
5119-48-2
Formula
C27H36O7; C28H38O6
Synonym
WITHAFERIN A; WITHAFERIN DERIV JPR, IOWA U. COMPOUND; Withaferine; Withaferine A; withaferinea; (4beta,5beta,6beta,22R)-5,6-Epoxy-4,22,27-trihydroxy-1-oxoergosta-2,24-dien-26-oic acid, delta-lactone; (4ß,5ß,6ß,22R)-5,6-Epoxy-4,22,27-trihydroxy-1-oxoergosta-2,24-dien-26-oicacidd-lactone; 5,6-beta-epoxy-4-beta,22,27-trihydroxy-1-5-beta-ergosta-24-dien-26-oicacid; 5-19-06-00604 (Beilstein Handbook Reference); 5-beta-Ergosta-2,24-dien-26-oic acid, 5,6-beta-epoxy-4-beta,22,27-trihydroxy-1-oxo-, delta-lactone, (20S,22R)-; 5beta-Ergosta-2,24-dien-26-oic acid, 5,6beta-epoxy-4beta,22,27-trihydroxy-1-oxo-, delta-lactone, (20S,22R)- (8CI); BRN 1335150; delta-lactone,(20s,22r)-oxo; Ergosta-2,24-dien-26-oic acid, 5,6-epoxy-4,22,27-trihydroxy-1-oxo-, gamma-lactone, (4bta,5beta,6beta,22R)-; NSC 273757; NSC-101088; UNII-L6DO3QW4K5
Typical Product Specifications
Molecular weight
472.57
SMILES
CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=C[C@@H]6O)C)O5)C)CO
InChI
DBRXOUCRJQVYJQ-CKNDUULBSA-N
InChIKey
1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1
Class
WITHAFERIN A
Product Description
Product
WITHAFERIN A
CAS
5119-48-2
Formula
C27H36O7; C28H38O6
Synonym
WITHAFERIN A; WITHAFERIN DERIV JPR, IOWA U. COMPOUND; Withaferine; Withaferine A; withaferinea; (4beta,5beta,6beta,22R)-5,6-Epoxy-4,22,27-trihydroxy-1-oxoergosta-2,24-dien-26-oic acid, delta-lactone; (4ß,5ß,6ß,22R)-5,6-Epoxy-4,22,27-trihydroxy-1-oxoergosta-2,24-dien-26-oicacidd-lactone; 5,6-beta-epoxy-4-beta,22,27-trihydroxy-1-5-beta-ergosta-24-dien-26-oicacid; 5-19-06-00604 (Beilstein Handbook Reference); 5-beta-Ergosta-2,24-dien-26-oic acid, 5,6-beta-epoxy-4-beta,22,27-trihydroxy-1-oxo-, delta-lactone, (20S,22R)-; 5beta-Ergosta-2,24-dien-26-oic acid, 5,6beta-epoxy-4beta,22,27-trihydroxy-1-oxo-, delta-lactone, (20S,22R)- (8CI); BRN 1335150; delta-lactone,(20s,22r)-oxo; Ergosta-2,24-dien-26-oic acid, 5,6-epoxy-4,22,27-trihydroxy-1-oxo-, gamma-lactone, (4bta,5beta,6beta,22R)-; NSC 273757; NSC-101088; UNII-L6DO3QW4K5
Typical Product Specifications
Molecular weight
472.57
SMILES
CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=C[C@@H]6O)C)O5)C)CO
InChI
DBRXOUCRJQVYJQ-CKNDUULBSA-N
InChIKey
1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1
Class
