Nazwa analitu

Pubesenolide

Numer CAS

98569-64-3

Wzór cząsteczkowy

C28H42O5

Masa cząsteczkowa

458.63

Dokładna masa

458.3

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@H](C)[C@]5(CC(C)=C(CO)C(=O)O5)[H])(CC4)[H])[H])(CC=C1C[C@@H](O)C[C@@H]2O)[H])[H]

InChI

InChI=1S/C28H42O5/c1-15-11-24(33-26(32)20(15)14-29)16(2)21-7-8-22-19-6-5-17-12-18(30)13-25(31)28(17,4)23(19)9-10-27(21,22)3/h5,16,18-19,21-25,29-31H,6-14H2,1-4H3/t16-,18+,19-,21+,22-,23-,24+,25-,27+,28-/m0/s1

IUPAC

(R)-6-((S)-1-((1S,3R,8S,9S,10R,13S,14S,17R)-1,3-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl)-3-(hydroxymethyl)-4-methyl-5,6-dihydro-2H-pyran-2-one

Temperatura podczas transportu

Room Temperature

Kraj pochodzenia

CANADA

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