(5R,8R,9S,10S,13S,14R,17S)-2',2',10,13-tetramethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazolidine]

C23H39NO — CID 51902546

IUPAC(5R,8R,9S,10S,13S,14R,17S)-2',2',10,13-tetramethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazolidine]
SMILESCC1(C)NC[C@@]2(CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)O1
InChIInChI=1S/C23H39NO/c1-20(2)24-15-23(25-20)14-11-19-17-9-8-16-7-5-6-12-21(16,3)18(17)10-13-22(19,23)4/h16-19,24H,5-15H2,1-4H3/t16-,17-,18+,19-,21+,22+,23-/m1/s1
InChIKeyXNXXTZVYIJSAOG-AFBZNQPGSA-N
MW345.57 g/mol
LogP5.51
Rot. Bonds

About (5R,8R,9S,10S,13S,14R,17S)-2',2',10,13-tetramethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazolidine]

(5R,8R,9S,10S,13S,14R,17S)-2',2',10,13-tetramethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazolidine] (PubChem CID 51902546) has the molecular formula C23H39NO and a molecular weight of 345.57 g/mol. Its IUPAC name is (5R,8R,9S,10S,13S,14R,17S)-2',2',10,13-tetramethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazolidine].

Molecular Properties

Compound Name(5R,8R,9S,10S,13S,14R,17S)-2',2',10,13-tetramethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazolidine]
PubChem CID51902546
Molecular FormulaC23H39NO
Molecular Weight345.57 g/mol
Exact Mass345.30
IUPAC Name(5R,8R,9S,10S,13S,14R,17S)-2',2',10,13-tetramethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazolidine]
SMILESCC1(C)NC[C@@]2(CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)O1
InChIInChI=1S/C23H39NO/c1-20(2)24-15-23(25-20)14-11-19-17-9-8-16-7-5-6-12-21(16,3)18(17)10-13-22(19,23)4/h16-19,24H,5-15H2,1-4H3/t16-,17-,18+,19-,21+,22+,23-/m1/s1
InChIKeyXNXXTZVYIJSAOG-AFBZNQPGSA-N
XLogP5.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.57
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5R,8R,9S,10S,13S,14R,17S)-2',2',10,13-tetramethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazolidine] with MolForge

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Related Compounds

(5R,8R,9R,10S,13S,14S,17R)-10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-oxetane]
CID 7074702
(5S,8R,9S,10S,13S,14S,17R)-10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-oxetane]
CID 99568843
(5R,8S,9S,10S,13S,14R,17R)-10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-oxetane]
CID 11871990
2',2',10,13-tetramethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazolidin-3-ium]
CID 4048139
(5S,8S,9R,10S,13S,14S,17S)-10,13,17-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol
CID 7177692
(5S,8R,9S,10S,13R,14R)-10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dioxolane]
CID 11867840
(5R,8R,9S,10S,13S,14S,17R)-10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-thiirane]
CID 99567170
(5R,8R,9S,10S,13S,14R,17R)-17-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17-carbonitrile
CID 124903162
10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dithiolane]
CID 15537734
2-iodo-1-[(5R,8R,9R,10S,13S,14R,17S)-2',2',10,13-tetramethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazolidine]-3'-yl]ethanone
CID 7003226
(3aS,3bR,9aS,9bR,11aS)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,7,8,9,9b,10,11-tetradecahydro-1H-naphtho[2,1-e]indole
CID 57104097
(8R,10S,13S,17R)-10,13-dimethyl-17-propan-2-yl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol
CID 165146159

Frequently Asked Questions

What is the IUPAC name of (5R,8R,9S,10S,13S,14R,17S)-2',2',10,13-tetramethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazolidine]?
The IUPAC name of (5R,8R,9S,10S,13S,14R,17S)-2',2',10,13-tetramethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazolidine] (CID 51902546) is (5R,8R,9S,10S,13S,14R,17S)-2',2',10,13-tetramethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazolidine].
What is the SMILES notation for (5R,8R,9S,10S,13S,14R,17S)-2',2',10,13-tetramethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazolidine]?
The canonical SMILES for (5R,8R,9S,10S,13S,14R,17S)-2',2',10,13-tetramethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazolidine] is CC1(C)NC[C@@]2(CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)O1.
What is the InChIKey of (5R,8R,9S,10S,13S,14R,17S)-2',2',10,13-tetramethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazolidine]?
The InChIKey is XNXXTZVYIJSAOG-AFBZNQPGSA-N. The full InChI is InChI=1S/C23H39NO/c1-20(2)24-15-23(25-20)14-11-19-17-9-8-16-7-5-6-12-21(16,3)18(17)10-13-22(19,23)4/h16-19,24H,5-15H2,1-4H3/t16-,17-,18+,19-,21+,22+,23-/m1/s1.
What are the key properties of (5R,8R,9S,10S,13S,14R,17S)-2',2',10,13-tetramethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazolidine]?
(5R,8R,9S,10S,13S,14R,17S)-2',2',10,13-tetramethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazolidine] has a molecular weight of 345.57 g/mol, XLogP of 5.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8R,9S,10S,13S,14R,17S)-2',2',10,13-tetramethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,5'-1,3-oxazolidine] is sourced from PubChem (CID 51902546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).