200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 2460-96-0
2460-96-0 | Spirostan-2,3-diol, (2β,3α,5β,25R)-
CAS No: 2460-96-0 Catalog No: AG002OPK MDL No:
Product Description
Catalog Number:
AG002OPK
Chemical Name:
Spirostan-2,3-diol, (2β,3α,5β,25R)-
CAS Number:
2460-96-0
Molecular Formula:
C27H44O4
Molecular Weight:
432.6359
IUPAC Name:
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,15S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16-diol
InChI:
InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-23(31-27)12-20-18-6-5-17-11-21(28)22(29)13-26(17,4)19(18)8-9-25(20,24)3/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,21+,22+,23+,24+,25+,26+,27-/m1/s1
InChI Key:
FWCXELAAYFYCSR-JSEAXMQNSA-N
SMILES:
C[C@@H]1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC[C@H]3[C@]([C@H]1CC2)(C)C[C@@H]([C@H](C3)O)O)C
Properties
Complexity:
726
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
13
Defined Bond Stereocenter Count:
0
Exact Mass:
432.324g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
432.645g/mol
Monoisotopic Mass:
432.324g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.