(8R,9S,10S,13R,14S,17R)-3,7,10,12,13-pentamethyl-17-propan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene

C25H44 — CID 59886228

IUPAC(8R,9S,10S,13R,14S,17R)-3,7,10,12,13-pentamethyl-17-propan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
SMILESCC1CC[C@@]2(C)C(C1)CC(C)[C@H]1[C@@H]3CC[C@H](C(C)C)[C@@]3(C)C(C)C[C@@H]12
InChIInChI=1S/C25H44/c1-15(2)20-8-9-21-23-17(4)13-19-12-16(3)10-11-24(19,6)22(23)14-18(5)25(20,21)7/h15-23H,8-14H2,1-7H3/t16?,17?,18?,19?,20-,21+,22+,23+,24+,25-/m1/s1
InChIKeyGZPPJZVQTNRIIV-UWOPHRESSA-N
MW344.63 g/mol
LogP7.43
Rot. Bonds1

About (8R,9S,10S,13R,14S,17R)-3,7,10,12,13-pentamethyl-17-propan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene

(8R,9S,10S,13R,14S,17R)-3,7,10,12,13-pentamethyl-17-propan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene (PubChem CID 59886228) has the molecular formula C25H44 and a molecular weight of 344.63 g/mol. Its IUPAC name is (8R,9S,10S,13R,14S,17R)-3,7,10,12,13-pentamethyl-17-propan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene.

Molecular Properties

Compound Name(8R,9S,10S,13R,14S,17R)-3,7,10,12,13-pentamethyl-17-propan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
PubChem CID59886228
Molecular FormulaC25H44
Molecular Weight344.63 g/mol
Exact Mass344.34
IUPAC Name(8R,9S,10S,13R,14S,17R)-3,7,10,12,13-pentamethyl-17-propan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
SMILESCC1CC[C@@]2(C)C(C1)CC(C)[C@H]1[C@@H]3CC[C@H](C(C)C)[C@@]3(C)C(C)C[C@@H]12
InChIInChI=1S/C25H44/c1-15(2)20-8-9-21-23-17(4)13-19-12-16(3)10-11-24(19,6)22(23)14-18(5)25(20,21)7/h15-23H,8-14H2,1-7H3/t16?,17?,18?,19?,20-,21+,22+,23+,24+,25-/m1/s1
InChIKeyGZPPJZVQTNRIIV-UWOPHRESSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.63
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (8R,9S,10S,13R,14S,17R)-3,7,10,12,13-pentamethyl-17-propan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene with MolForge

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Related Compounds

2-(1-adamantyl)acetic acid;4-(3,7,10,12,13-pentamethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
CID 54169442
3,7,10,12,13-pentamethyl-17-[5,11,12,12,13,13,14,14,15-nonamethyl-6-(5,6,6,7,7,8,8,9-octamethyldecyl)hexadecan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 59739513
(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-hexan-2-yl]-3,7,10,12,13-pentamethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;bis((4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,10,12,13-pentamethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentan-1-ol);(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-triamino-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentan-1-ol
CID 158766399
(2-nitrophenyl)methyl 4-[(3R,7R,12S)-3,7,10,12,13-pentamethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
CID 59935459
ethane;methanethiol;propane;3,7,10,13-tetramethyl-17-(5-methylhexan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 145154075
(3R,9S,14S)-3,7,10,13-tetramethyl-17-[(2R)-5-methylhex-5-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 142375417
methoxymethyl (4R)-4-[(7R,10S,12S,13R,17R)-3-hydroxy-7,10,12,13-tetramethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
CID 59963676
2-methylpropane;propane;5-(3,7,10,13-tetramethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)hex-1-en-2-ol
CID 145154047
ethane;ethene;3,7,10,13-tetramethyl-17-(5-methylidenenonan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 145154089
(3R,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-propan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
CID 58225180
(3R,7R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-propan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
CID 71171969
(3R,7R,9S,10S,12S,14S)-10,13-dimethyl-17-propan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
CID 143658966

Frequently Asked Questions

What is the IUPAC name of (8R,9S,10S,13R,14S,17R)-3,7,10,12,13-pentamethyl-17-propan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene?
The IUPAC name of (8R,9S,10S,13R,14S,17R)-3,7,10,12,13-pentamethyl-17-propan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene (CID 59886228) is (8R,9S,10S,13R,14S,17R)-3,7,10,12,13-pentamethyl-17-propan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene.
What is the SMILES notation for (8R,9S,10S,13R,14S,17R)-3,7,10,12,13-pentamethyl-17-propan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene?
The canonical SMILES for (8R,9S,10S,13R,14S,17R)-3,7,10,12,13-pentamethyl-17-propan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene is CC1CC[C@@]2(C)C(C1)CC(C)[C@H]1[C@@H]3CC[C@H](C(C)C)[C@@]3(C)C(C)C[C@@H]12.
What is the InChIKey of (8R,9S,10S,13R,14S,17R)-3,7,10,12,13-pentamethyl-17-propan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene?
The InChIKey is GZPPJZVQTNRIIV-UWOPHRESSA-N. The full InChI is InChI=1S/C25H44/c1-15(2)20-8-9-21-23-17(4)13-19-12-16(3)10-11-24(19,6)22(23)14-18(5)25(20,21)7/h15-23H,8-14H2,1-7H3/t16?,17?,18?,19?,20-,21+,22+,23+,24+,25-/m1/s1.
What are the key properties of (8R,9S,10S,13R,14S,17R)-3,7,10,12,13-pentamethyl-17-propan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene?
(8R,9S,10S,13R,14S,17R)-3,7,10,12,13-pentamethyl-17-propan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene has a molecular weight of 344.63 g/mol, XLogP of 7.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,9S,10S,13R,14S,17R)-3,7,10,12,13-pentamethyl-17-propan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene is sourced from PubChem (CID 59886228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).