AG0072OJ

21343-40-8 | 25-Hydroxyvitamin D2

AG0072OJ

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CAS Number	21343-40-8
Catalog Number	AG0072OJ(AGN-PC-0QXWXM)
Chemical Name	25-Hydroxyvitamin D2
EC Number	606-742-7
IUPAC Name	(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
InChI	InChI=1S/C28H44O2/c1-19-10-14-24(29)18-23(19)13-12-22-8-7-17-28(6)25(15-16-26(22)28)20(2)9-11-21(3)27(4,5)30/h9,11-13,20-21,24-26,29-30H,1,7-8,10,14-18H2,2-6H3/b11-9+,22-12+,23-13-/t20-,21+,24+,25-,26+,28-/m1/s1
InChI Key	KJKIIUAXZGLUND-ICCVIKJNSA-N
MDL Number	MFCD02683431
Molecular Formula	C28H44O2
Molecular Weight	412.6478
SMILES	O[C@@H]1C/C(C(CC1)=C)=C/C=C2[C@]3([H])CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)(O)C)[C@@]3(C)CCC/2
UNII	A288AR3C9H
Synonyms	25 Hydroxycalciferol, 25 Hydroxyergocalciferol, 25 Hydroxyvitamin D 2, 25 Hydroxyvitamin D2, 25-Hydroxycalciferol, 25-Hydroxyergocalciferol, 25-Hydroxyvitamin D 2, 25-Hydroxyvitamin D2, 9,10-Secoergosta-5,7,10(19),22-tetraene-3 beta,25-diol, Ercalcidiol, Ercalcidiol, 25-HYDROXYVITAMIN D2, 21343-40-8, 25-Hydroxyergocalciferol, 25-Hydroxycalciferol, 25-Hydroxy Vitamin D2, UNII-A288AR3C9H, A288AR3C9H, MFCD02683431, 25-hydroxyvitamin D2 / 25-hydroxyergocalciferol, 25-Hydroxyvitamin D 2, (5Z,7E,22E)-(3S)-9,10-seco-5,7,10(19),22-ergostatetraene-3,25-diol, (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol, 25-Hydroxyecalciferol, AC1NWQ5Z, SCHEMBL285345, CHEBI:86319, (3|A,5Z,7E,22E)-9,10-Secoergosta-5,7,10(19),22-tetraene-3,25-diol, ZX-AFC001319, ZINC6665108, LMST03010030, AKOS017343025, AN-7565, CS-0393, 9,10-Secoergosta-5,7,10(19),22-tetraene-3,25-diol, (3beta,5Z,7E,22E)-, HY-32349, 21343-40-8; 25-Hydroxyergocalciferol, LS-187060, LS-187670, ST24041050, 25-Hydroxyvitamin D2, >=98.0% (HPLC), W-5291, 25-Hydroxy-Ergocalciferol (25-(OH)-Vitamin D2), 343H408, A815284, 9,10-Secoergosta-5,7,10(19),22-tetraene-3beta,25-diol, 25-Hydroxyvitamin D2 solution, 100 mug/mL in ethanol, 98% (CP), 25-Hydroxyvitamin D2 solution, 5 mug/mL in ethanol, 98% (CP), 25-Hydroxyvitamin D2 solution, 50 mug/mL in ethanol, 98% (CP), (3S,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraene-3,25-diol, 3?,5Z,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraen-3,25-diol, (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,1R,4S)-5-hydroxy-1,4,5-trimethyl-hex-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol, (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5,6-dimethyl-6-oxidanyl-hept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol, (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol, (1S,3Z)-4-Methylene-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R,2E,4S)-5-hydroxy-1,4,5-trimethyl-2-hexenyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]cyclohexanol, 25-Hydroxyvitamin D2 solution, 5 mug/mL in ethanol, ampule of 1 mL, certified reference material, 25-Hydroxyvitamin D2 solution, 50 mug/mL in ethanol, ampule of 1 mL, certified reference material, 25-hydroxyvitamin D2,9,10-Secoergosta-5,7,10(19),22-tetraene-3,25-diol,(3beta,5Z,7E,22E)-, 25 Hydroxycalciferol, 25-Hydroxyvitamin D, 25 Hydroxyvitamin D2, 25 Hydroxyergocalciferol, 25 Hydroxyvitamin D 2, CID5710148, CS-O-10244, A3395, 25-Hydroxycalciferol; 25-Hydroxyergocalciferol, D015652, 9,10-Secoergosta-5,7,10(19),22-tetraene-3 beta,25-diol,

Complexity	725
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	6
Defined Bond Stereocenter Count	3
Exact Mass	412.334g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	412.658g/mol
Monoisotopic Mass	412.334g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H301+H311-H330-H372
Precuationary statements	P260-P280-P284-P301+P310-P310
Siginal words

Certificate of Analysis

Lot Number