 Home > Encyclopedia > [(2R,3R,5R,10S,11S,12S,13R,17R)-2,11-dihydroxy-4,4,10,13-tetramethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-3-sulfooxy-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-12-yl] acetate

[(2R,3R,5R,10S,11S,12S,13R,17R)-2,11-dihydroxy-4,4,10,13-tetramethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-3-sulfooxy-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-12-yl] acetate

[(2R,3R,5R,10S,11S,12S,13R,17R)-2,11-dihydroxy-4,4,10,13-tetramethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-3-sulfooxy-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-12-yl] acetate structure

CAS No:
131319-90-9
Formula:
C32H50O8S
Chemical Name:
[(2R,3R,5R,10S,11S,12S,13R,17R)-2,11-dihydroxy-4,4,10,13-tetramethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-3-sulfooxy-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-12-yl] acetate
Synonyms:
4,4,24-TCTTAS;4,4,24-trimethylcholesta-8,14,24(28)-trien-2,3,11,12-tetrol 12-acetate-3-sulfate;131319-90-9;4,4,24-Tcttas;DTXSID10927158;2,11-Dihydroxy-4,4-dimethyl-3-(sulfooxy)ergosta-8,14,24(28)-trien-12-yl acetate;4,4,24-Trimethylcholesta-8,14,24(28)-trien-2,3,11,12-tetrol 12-acetate-3-sulfate;Ergosta-8,14,24(28)-triene-2,3,11,12-tetrol, 4,4-dimethyl-, 12-acetate 3-(hydrogen sulfate), (2alpha,3beta,5alpha,11alpha,12beta)-

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[(2R,3R,5R,10S,11S,12S,13R,17R)-2,11-dihydroxy-4,4,10,13-tetramethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-3-sulfooxy-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-12-yl] acetate Basic Attributes

Molecular Weight：

594.8 g/mol

Exact Mass：

594.32263972 g/mol

Characteristics

PSA：

139 Å²

Drug Information

MeSH Entry Terms：

4,4,24-TCTTAS

Computed Properties

Molecular Weight:594.8
XLogP3:5.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:594.32263972
Monoisotopic Mass:594.32263972
Topological Polar Surface Area:139
Heavy Atom Count:41
Complexity:1240
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(2R,3R,5R,10S,11S,12S,13R,17R)-2,11-dihydroxy-4,4,10,13-tetramethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-3-sulfooxy-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-12-yl] acetate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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