Isopyrocalciferol

(3S,9R,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

Also Known As: Isopyrocalciferol|Isopyrovitamin D2|9beta-Ergosterol|Isopyroergocalciferol|Isopyrocalciferol [MI]|Isopyrovitamine D2|9-beta-ergosterol|9.BETA.-ERGOSTEROL|9beta-Ergosta-5,7,22-trien-3beta-ol|Ergosta-5,7,22-trien-3-ol, (3beta,9beta,22E)-|9.BETA.-ERGOSTA-5,7,22-TRIEN-3.BETA.-OL|(9beta,22E)-Ergosta-5,7,22-trien-3beta-ol|(3-beta,9-beta,22E)-Ergosta-5,7,22-trien-3-ol|ERGOSTA-5,7,22-TRIEN-3-OL, (3.BETA.,9.BETA.,22E)-|(3S,9R,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol|(1R,3aR,7S,9aR,9bR,11aR)-1-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol|(3S,9R,10R,13R,14R,17R)-17-((E,2R,5R)-5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta(a)phenanthren-3-ol

Molecular Formula	C28H44O
Molecular Weight	396.3392 g/mol
LogP	7.3308
Topological Polar Surface Area	20.23 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	1
Rotatable Bonds	4
Exact Mass	396.3392
Monoisotopic Mass	396.3392
Heavy Atoms	29
Complexity	711.82544

Chemical Identifiers

CAS Number	474-70-4
SMILES	C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C