Nombre del analito

(5E,24R)-Calcipotriene

Número CAS

112849-47-5

Fórmula molecular

C27H40O3

Peso molecular

412.6

Masa exacta

412.3

SMILES

[H][C@@]12[C@]([C@]([C@H](C)/C=C/[C@H](O)C3CC3)([H])CC2)(C)CCC/C1=C\C=C4C([C@@H](O)C[C@H](O)C\4)=C

InChI

InChI=1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10+/t17?,22-,23-,24+,25+,26+,27?/m1/s1

IUPAC

(1R,3S,E)-5-(2-((1R,3aS,7aR,E)-1-((2R,5R,E)-5-cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol

Alternar número CAS

(5E,24S)-isomer: 113082-99-8

Temperatura de almacenamiento

-20°C

Temperatura de envío

Room Temperature

País de origen

CANADA

Formato del producto

Neat