lithium;carbanide;(5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one;(3S,5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;oxolane

C85H151LiO7 — CID 159180766

About lithium;carbanide;(5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one;(3S,5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;oxolane

lithium;carbanide;(5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one;(3S,5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;oxolane (PubChem CID 159180766) has the molecular formula C85H151LiO7 and a molecular weight of 1292.08 g/mol. Its IUPAC name is lithium;carbanide;(5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one;(3S,5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;oxolane.

Molecular Properties

• Compound Name: lithium;carbanide;(5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one;(3S,5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;oxolane
• PubChem CID: 159180766
• Molecular Formula: C85H151LiO7
• Molecular Weight: 1292.08 g/mol
• Exact Mass: 1291.16
• IUPAC Name: lithium;carbanide;(5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one;(3S,5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;oxolane
• SMILES: C1CCOC1.C[C@H](CCC(C)(C)O)[C@H]1CCC2C3CC[C@@H]4CC(=O)CC[C@]4(C)C3CC[C@@]21C.C[C@H](CCC(C)(C)O)[C@H]1CCC2C3CC[C@@H]4C[C@@](C)(O)CC[C@]4(C)C3CC[C@@]21C.C[C@H](CCC(C)(C)O)[C@H]1CCC2C3CC[C@@H]4C[C@](C)(O)CC[C@]4(C)C3CC[C@@]21C.[CH3-].[Li+]
• InChI: InChI=1S/2C27H48O2.C26H44O2.C4H8O.CH3.Li/c2*1-18(11-13-24(2,3)28)21-9-10-22-20-8-7-19-17-25(4,29)15-16-26(19,5)23(20)12-14-27(21,22)6;1-17(10-13-24(2,3)28)21-8-9-22-20-7-6-18-16-19(27)11-14-25(18,4)23(20)12-15-26(21,22)5;1-2-4-5-3-1;;/h2*18-23,28-29H,7-17H2,1-6H3;17-18,20-23,28H,6-16H2,1-5H3;1-4H2;1H3;/q;;;;-1;+1/t18-,19-,20?,21-,22?,23?,25+,26+,27-;18-,19-,20?,21-,22?,23?,25-,26+,27-;17-,18-,20?,21-,22?,23?,25+,26-;;;/m111.../s1
• InChIKey: IOPRAMVDROARBV-SFSMPKBCSA-N
• XLogP: 17.82
• TPSA: 127.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1292.08
LogP ≤ 5	17.82
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;carbanide;(5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one;(3S,5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;oxolane?

The IUPAC name of lithium;carbanide;(5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one;(3S,5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;oxolane (CID 159180766) is lithium;carbanide;(5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one;(3S,5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;oxolane.

What is the SMILES notation for lithium;carbanide;(5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one;(3S,5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;oxolane?

The canonical SMILES for lithium;carbanide;(5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one;(3S,5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;oxolane is C1CCOC1.C[C@H](CCC(C)(C)O)[C@H]1CCC2C3CC[C@@H]4CC(=O)CC[C@]4(C)C3CC[C@@]21C.C[C@H](CCC(C)(C)O)[C@H]1CCC2C3CC[C@@H]4C[C@@](C)(O)CC[C@]4(C)C3CC[C@@]21C.C[C@H](CCC(C)(C)O)[C@H]1CCC2C3CC[C@@H]4C[C@](C)(O)CC[C@]4(C)C3CC[C@@]21C.[CH3-].[Li+].

What is the InChIKey of lithium;carbanide;(5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one;(3S,5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;oxolane?

The InChIKey is IOPRAMVDROARBV-SFSMPKBCSA-N. The full InChI is InChI=1S/2C27H48O2.C26H44O2.C4H8O.CH3.Li/c2*1-18(11-13-24(2,3)28)21-9-10-22-20-8-7-19-17-25(4,29)15-16-26(19,5)23(20)12-14-27(21,22)6;1-17(10-13-24(2,3)28)21-8-9-22-20-7-6-18-16-19(27)11-14-25(18,4)23(20)12-15-26(21,22)5;1-2-4-5-3-1;;/h2*18-23,28-29H,7-17H2,1-6H3;17-18,20-23,28H,6-16H2,1-5H3;1-4H2;1H3;/q;;;;-1;+1/t18-,19-,20?,21-,22?,23?,25+,26+,27-;18-,19-,20?,21-,22?,23?,25-,26+,27-;17-,18-,20?,21-,22?,23?,25+,26-;;;/m111.../s1.

What are the key properties of lithium;carbanide;(5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one;(3S,5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;oxolane?

lithium;carbanide;(5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one;(3S,5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;oxolane has a molecular weight of 1292.08 g/mol, XLogP of 17.82, 12 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;carbanide;(5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one;(3S,5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;(3R,5R,10S,13R,17R)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol;oxolane is sourced from PubChem (CID 159180766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).