Compound C24H31FO7S

2-[[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-4-yl]sulfanyl]acetic acid

CAS: 131467-45-3

Molecular Formula	`C24H31FO7S`
Molecular Weight	482.6 g/mol
LogP	2.3
Topological Polar Surface Area	157.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	9
Rotatable Bonds	5
Exact Mass	482.17746
Heavy Atoms	33
Complexity	978.0

Chemical Identifiers

CAS Number	131467-45-3
SMILES	`CC1CC2C3CCC4=C(C(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C)SCC(=O)O`
InChIKey	`YNWPGLLPEDRZEY-AHAMZHHVSA-N`

📖 Product Overview

Compound C24H31FO7S (CAS: 131467-45-3) is a chemical compound with molecular formula C24H31FO7S and molecular weight 482.6 g/mol. Its IUPAC systematic name is 2-[[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-4-yl]sulfanyl]acetic acid. LogP 2.3 Topological Polar Surface Area 157.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 9 Rotatable Bonds 5 Exact Mass 482.17746 Heavy Atoms 33 Complexity 978.0 InChI Key: YNWPGLLPEDRZEY-AHAMZHHVSA-N. SMILES: CC1CC2C3CCC4=C(C(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C)SCC(=O)O.

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