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Vitamin D1

Vitamin D1 structure

Vitamin D1 

structure
  • CAS No:

    520-91-2

  • Formula:

    C56H88O2

  • Chemical Name:

    Vitamin D1

  • Synonyms:

    (3b,9b,10a,22E)-Ergosta-5,7,22-trien-3-ol compd. with (3b,5Z,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraen-3-ol (1:1); (3β,9β,10α,22E)-Ergosta-5,7,22-trien-3-ol - (3S,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraen-3-ol (1:1); Mixture of ergocalciferol and lumisterol (1:1); Mixture of molecular compounds of ergocalciferol with lumisterol, 1:1; Cyclohexanol, 4-methylene-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]-, (1S,3Z)-, compd. with (3β,9β,10α,22E)-ergos ta-5,7,22-trien-3-ol (1:1); (3S,9R,10S,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 compound with (S,Z)-3-(2-((1R,3aS,7aR,E)-1-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexan-1-ol (1:1);Expand

Vitamin D1 Basic Attributes

793.29700

792.67843205

40F8SW6OW5

Characteristics

40.46000

14.97180

504.2ºC at 760mmHg

218.2ºC

Computed Properties

Molecular Weight:793.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:792.67843205
Monoisotopic Mass:792.67843205
Topological Polar Surface Area:40.5
Heavy Atom Count:58
Complexity:1390
Defined Atom Stereocenter Count:14
Defined Bond Stereocenter Count:4
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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