(4α,5α,6β,8α,9β,13α,14β,16β,17Z)-6,16-Bis(acetyloxy)-25-hydroxy-4,8,14-trimethyl-3,7-dioxo-18-norcholesta-1,17(20)-dien-21-oic acid

CAS Registry Number®

1031727-36-2

CAS Name

(4α,5α,6β,8α,9β,13α,14β,16β,17Z)-6,16-Bis(acetyloxy)-25-hydroxy-4,8,14-trimethyl-3,7-dioxo-18-norcholesta-1,17(20)-dien-21-oic acid

Molecular Formula

C33H46O9

Molecular Mass

586.71

Cite this Page

(4α,5α,6β,8α,9β,13α,14β,16β,17Z)-6,16-Bis(acetyloxy)-25-hydroxy-4,8,14-trimethyl-3,7-dioxo-18-norcholesta-1,17(20)-dien-21-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1031727-36-2 (retrieved 2024-11-04) (CAS RN: 1031727-36-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H46O9/c1-17-22(36)13-15-31(6)24-12-11-21-25(20(29(38)39)10-9-14-30(4,5)40)23(41-18(2)34)16-32(21,7)33(24,8)28(37)27(26(17)31)42-19(3)35/h13,15,17,21,23-24,26-27,40H,9-12,14,16H2,1-8H3,(H,38,39)/b25-20-/t17-,21+,23+,24+,26-,27+,31-,32+,33-/m1/s1

InChIKey

InChIKey=WLRJWQXWJBEULT-GAZAAFLYSA-N

SMILES

C[C@@]12[C@]3(C)[C@](/C(=C(\CCCC(C)(C)O)/C(O)=O)/[C@@H](OC(C)=O)C3)(CC[C@]1([C@]4(C)[C@@]([C@H](OC(C)=O)C2=O)([C@H](C)C(=O)C=C4)[H])[H])[H]

Canonical SMILES

O=C(O)C(=C1C(OC(=O)C)CC2(C)C1CCC3C4(C=CC(=O)C(C)C4C(OC(=O)C)C(=O)C32C)C)CCCC(O)(C)C

Other Names for this Substance

  • 18-Norcholesta-1,17(20)-dien-21-oic acid, 6,16-bis(acetyloxy)-25-hydroxy-4,8,14-trimethyl-3,7-dioxo-, (4α,5α,6β,8α,9β,13α,14β,16β,17Z)-
  • (4α,5α,6β,8α,9β,13α,14β,16β,17Z)-6,16-Bis(acetyloxy)-25-hydroxy-4,8,14-trimethyl-3,7-dioxo-18-norcholesta-1,17(20)-dien-21-oic acid

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles