CAS 10163-83-4 | Pregn-5-en-20-one, 11-(acetyloxy)-3,14-dihydroxy-12-(3-methyl-1-oxobutoxy)-, (3β,11α,12β,14β)- | CAS Number 10163-83-4

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10163-83-4 | Pregn-5-en-20-one, 11-(acetyloxy)-3,14-dihydroxy-12-(3-methyl-1-oxobutoxy)-, (3β,11α,12β,14β)-

CAS No: 10163-83-4 Catalog No: AG00050Z MDL No:MFCD01756714

Product Description

Catalog Number:

AG00050Z

Chemical Name:

Pregn-5-en-20-one, 11-(acetyloxy)-3,14-dihydroxy-12-(3-methyl-1-oxobutoxy)-, (3β,11α,12β,14β)-

CAS Number:

10163-83-4

Molecular Formula:

C28H42O7

Molecular Weight:

490.6289

MDL Number:

MFCD01756714

IUPAC Name:

[(3S,8R,9S,10R,11S,12S,13S,14S,17S)-17-acetyl-11-acetyloxy-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] 3-methylbutanoate

InChI:

InChI=1S/C28H42O7/c1-15(2)13-22(32)35-25-24(34-17(4)30)23-21(8-7-18-14-19(31)9-11-26(18,23)5)28(33)12-10-20(16(3)29)27(25,28)6/h7,15,19-21,23-25,31,33H,8-14H2,1-6H3/t19-,20+,21+,23+,24-,25+,26-,27-,28-/m0/s1

InChI Key:

VZYFPJYRFFDDKS-GJULNNQYSA-N

SMILES:

CC(=O)O[C@H]1[C@H]2[C@@H](CC=C3[C@]2(C)CC[C@@H](C3)O)[C@@]2([C@@]([C@@H]1OC(=O)CC(C)C)(C)[C@H](CC2)C(=O)C)O