| 2D Structure | |
| CID | 444679 |
| Target | DPYSL2 , ECH1 , GAPDH , HSPA1A , HSPA1B , HSPA5 , HSPA8 , TPM1 , TPM4 |
| IUPAC Name | (3S,9S,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 |
| InChI | InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1 |
| InChI Key | DNVPQKQSNYMLRS-APGDWVJJSA-N |
| Canonical SMILES | CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C |
| Isomeric 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 |
| Molecular Formula | C28H44O |
| Molecular Weight | 396.6 |
| synonyms | ['ERGOSTEROL', '57-87-4', 'Provitamin D2', 'Ergosterin', 'UNII-Z30RAY509F', 'CCRIS 7220', 'HSDB 395', 'Z30RAY509F', 'CHEBI:16933', '24-Methylcholesta-5,7,22-trien-3beta-ol', 'Ergosta-5,7,22-trien-3beta-ol', 'EINECS 200-352-7', 'Ergosta-5,7,22-trien-3-ol, (3beta,22E)-', '24alpha-Methyl-22E-dehydrocholesterol', '(22E)-ergosta-5,7,22-trien-3beta-ol', '(22E,24S)-24-methylcholesta-5,7,22-trien-3beta-ol', 'AI3-18876', '24R-Methylcholesta-5,7,2E-trien-3beta-ol', '(3beta,22E)-Ergosta-5,7,22-trien-3-ol', 'DTXSID90878679', 'ERGOSTEROL (USP-RS)', 'ERGOSTEROL [USP-RS]', 'Provitamin D 2', 'Pro Vitamin D2', 'Pro-Vitamin D2', 'D2, Pro-Vitamin', 'ERGOCALCIFEROL IMPURITY B (EP IMPURITY)', 'ERGOCALCIFEROL IMPURITY B [EP IMPURITY]', 'ergosta-5:6,7:8,22:23-trien-3-ol', 'DTXCID201016721', 'DELTA-5,7,22-ERGOSTATRIEN-3BETA-OL', 'ERGOSTEROL (CONSTITUENT OF GANODERMA LUCIDUM FRUITING BODY)', '200-352-7', 'Ergosta-5,7,22-trien-3-ol, (3b,22E)-', 'Ergosta-5,7,22E-trien-3beta-ol', '5,7,22-Ergostatrien-3beta-ol', '3beta-Hydroxy-5,7,22-ergostatriene', '(22E)-Ergosta-5,7,22-trien-3.beta.-ol', 'Ergosterol (Provitamin D2)', '(3.beta.,22E)-Ergosta-5,7,22-trien-3-ol', 'Ergosta-5,7,22-trien-3-ol, (3.beta.,22E)-', 'MFCD00003623', 'ergosta-5,7,22-trien-3-ol', 'NSC62791', 'Provitamine D2', '(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol', 'Ergosterol, >=75%', 'ERGOSTEROL [MI]', 'ERGOSTEROL [HSDB]', 'bmse000494', 'SCHEMBL43194', '(3S,9S,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', 'MEGxm0_000450', 'CHEMBL1232562', 'ACon0_000429', 'ACon1_000637', '24a-Methyl-22E-dehydrocholesterol', 'Ergosterol, >=95.0% (HPLC)', 'HY-N0181', 'BDBM50378884', 'LMST01030093', 's2297', '24alpha-Methyl-22E-dehydrocholestero', 'AKOS015918128', 'AC-8370', 'DB04038', 'DS-4956', 'FE30866', '(24R)-Ergosta-5,7,22-trien-3b-ol', '(3beta)-Ergosta-5,7,22-trien-3-ol', 'NCGC00168889-01', 'NCGC00168889-02', '(3S,9S,10R,13R,14R,17R)-17-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol', '14-((2E)(1R,4R)-1,4,5-trimethylhex-2-enyl)(1S,5S,2R,11R,14R,15R)-2,15-dimethyl tetracyclo[8.7.0.0<2,7>.0<11,15>]heptadeca-7,9-dien-5-ol', '24-Methylcholesta-5,7,22-trien-3b-ol', 'BP-40655', '24R-Methylcholesta-5,7,22E-trien-3b-ol', '(3beta,2E)-Ergosta-5,7,22-trien-3-ol', 'CS-0007890', 'NS00008818', '24R-Methylcholesta-5,7,22E-trien-3beta-ol', 'C01694', 'EN300-21680273', 'Q143263', 'Provitamin D2; 3beta-Hydroxy-5,7,22-ergostatriene', 'BRD-K03039262-001-03-7', '45ED0A4C-6FDA-443F-B886-D6C805A76AF2', 'Ergosterol, 10 mg/mL in chloroform, analytical standard', '(3beta,14beta,17alpha,22E)-ergosta-5,7,22-trien-3-ol', 'Ergosterol, European Pharmacopoeia (EP) Reference Standard', 'Ergosterol, United States Pharmacopeia (USP) Reference Standard', 'ERGOSTEROL (CONSTITUENT OF GANODERMA LUCIDUM FRUITING BODY) [DSC]', 'Ergosterol, Pharmaceutical Secondary Standard; Certified Reference Material', '(1R,3aR,7S,9aR,9bS,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'] |
From Pubchem