(2β,3β,5β,22R)-2-(3-Carboxy-1-oxopropoxy)-3,14,20,22,25-pentahydroxycholest-7-en-6-one
CAS Registry Number®
78832-67-4
No image available.
CAS Name
(2β,3β,5β,22R)-2-(3-Carboxy-1-oxopropoxy)-3,14,20,22,25-pentahydroxycholest-7-en-6-oneMolecular Formula
C31H48O10Molecular Mass
580.71Cite this Page
(2β,3β,5β,22R)-2-(3-Carboxy-1-oxopropoxy)-3,14,20,22,25-pentahydroxycholest-7-en-6-one. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=78832-67-4 (retrieved ) (CAS RN: 78832-67-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C31H48O10/c1-27(2,38)11-10-24(34)30(5,39)23-9-13-31(40)18-14-20(32)19-15-21(33)22(41-26(37)7-6-25(35)36)16-28(19,3)17(18)8-12-29(23,31)4/h14,17,19,21-24,33-34,38-40H,6-13,15-16H2,1-5H3,(H,35,36)/t17-,19-,21+,22-,23-,24+,28+,29+,30+,31+/m0/s1
InChIKey
InChIKey=DPULBYBNKZZWKM-LWKVVJKTSA-N
SMILES
O[C@]12C=3[C@@]([C@]4(C)[C@](C(=O)C3)(C[C@@H](O)[C@@H](OC(CCC(O)=O)=O)C4)[H])(CC[C@]1(C)[C@@]([C@@]([C@@H](CCC(C)(C)O)O)(C)O)(CC2)[H])[H]
Canonical SMILES
O=C(O)CCC(=O)OC1CC2(C)C3C(=CC(=O)C2CC1O)C4(O)CCC(C(O)(C)C(O)CCC(O)(C)C)C4(C)CC3
Other Names for this Substance
- Cholest-7-en-6-one, 2-(3-carboxy-1-oxopropoxy)-3,14,20,22,25-pentahydroxy-, (2β,3β,5β,22R)-
- (2β,3β,5β,22R)-2-(3-Carboxy-1-oxopropoxy)-3,14,20,22,25-pentahydroxycholest-7-en-6-one
