CAS 14144-06-0 | b-D-Glucopyranoside, (3b,25R)-spirost-5-en-3-yl | CAS Number 14144-06-0

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14144-06-0 | b-D-Glucopyranoside, (3b,25R)-spirost-5-en-3-yl

CAS No: 14144-06-0 Catalog No: AG00HW00 MDL No:MFCD00867497

Product Description

Catalog Number:

AG00HW00

Chemical Name:

b-D-Glucopyranoside, (3b,25R)-spirost-5-en-3-yl

CAS Number:

14144-06-0

Molecular Formula:

C33H52O8

Molecular Weight:

576.7612

MDL Number:

MFCD00867497

IUPAC Name:

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxane-3,4,5-triol

InChI:

InChI=1S/C33H52O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h5,17-18,20-30,34-37H,6-16H2,1-4H3/t17-,18+,20+,21-,22+,23+,24+,25-,26+,27-,28+,29-,30-,31+,32+,33-/m1/s1

InChI Key:

WXMARHKAXWRNDM-GAMIEDRGSA-N

SMILES:

OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@]3(O4)CC[C@H](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O)O)O

UNII:

8KI671F2NS

Properties

Complexity:

1030

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

576.366g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

576.771g/mol

Monoisotopic Mass:

576.366g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

118A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.1

Literature

Title	Journal
Small molecular weight PEGylation of diosgenin in an in vivo animal study for diabetic auditory impairment treatment.	Bioorganic & medicinal chemistry letters 20120715
Exploration of the correlation between the structure, hemolytic activity, and cytotoxicity of steroid saponins.	Bioorganic & medicinal chemistry 20070401