(7R,10S,13S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylic acid;(7R,10S,13S,17R)-10,13-dimethyl-7-(5-methylfuran-2-yl)spiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione;hydrogen peroxide;methane;methyl (7R,10S,13S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate;methyl (1R,2S,9R,14R,15S,17R)-2,15-dimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate;O-(trichloromethoxy)hydroxylamine

C101H132Cl3NO24 — CID 161149696

About (7R,10S,13S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylic acid;(7R,10S,13S,17R)-10,13-dimethyl-7-(5-methylfuran-2-yl)spiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione;hydrogen peroxide;methane;methyl (7R,10S,13S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate;methyl (1R,2S,9R,14R,15S,17R)-2,15-dimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate;O-(trichloromethoxy)hydroxylamine

(7R,10S,13S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylic acid;(7R,10S,13S,17R)-10,13-dimethyl-7-(5-methylfuran-2-yl)spiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione;hydrogen peroxide;methane;methyl (7R,10S,13S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate;methyl (1R,2S,9R,14R,15S,17R)-2,15-dimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate;O-(trichloromethoxy)hydroxylamine (PubChem CID 161149696) has the molecular formula C101H132Cl3NO24 and a molecular weight of 1850.51 g/mol. Its IUPAC name is (7R,10S,13S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylic acid;(7R,10S,13S,17R)-10,13-dimethyl-7-(5-methylfuran-2-yl)spiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione;hydrogen peroxide;methane;methyl (7R,10S,13S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate;methyl (1R,2S,9R,14R,15S,17R)-2,15-dimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate;O-(trichloromethoxy)hydroxylamine.

Molecular Properties

• Compound Name: (7R,10S,13S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylic acid;(7R,10S,13S,17R)-10,13-dimethyl-7-(5-methylfuran-2-yl)spiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione;hydrogen peroxide;methane;methyl (7R,10S,13S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate;methyl (1R,2S,9R,14R,15S,17R)-2,15-dimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate;O-(trichloromethoxy)hydroxylamine
• PubChem CID: 161149696
• Molecular Formula: C101H132Cl3NO24
• Molecular Weight: 1850.51 g/mol
• Exact Mass: 1847.82
• IUPAC Name: (7R,10S,13S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylic acid;(7R,10S,13S,17R)-10,13-dimethyl-7-(5-methylfuran-2-yl)spiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione;hydrogen peroxide;methane;methyl (7R,10S,13S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate;methyl (1R,2S,9R,14R,15S,17R)-2,15-dimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate;O-(trichloromethoxy)hydroxylamine
• SMILES: C.C.COC(=O)C1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)C(CC[C@@]24CCC(=O)O4)C13.COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C2=CC[C@@]3(C)C(CC[C@@]34CCC(=O)O4)C21.C[C@]12CCC(=O)C=C1C[C@@H](C(=O)O)C1C2=CC[C@@]2(C)C1CC[C@@]21CCC(=O)O1.Cc1ccc([C@@H]2CC3=CC(=O)CC[C@]3(C)C3=CC[C@@]4(C)C(CC[C@@]45CCC(=O)O5)C32)o1.NOOC(Cl)(Cl)Cl.OO
• InChI: InChI=1S/C27H32O4.C24H30O6.C24H30O5.C23H28O5.CH2Cl3NO2.2CH4.H2O2/c1-16-4-5-22(30-16)19-15-17-14-18(28)6-10-25(17,2)20-7-11-26(3)21(24(19)20)8-12-27(26)13-9-23(29)31-27;1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17;1-22-8-4-15(25)12-14(22)13-16(21(27)28-3)20-17(22)5-9-23(2)18(20)6-10-24(23)11-7-19(26)29-24;1-21-7-3-14(24)11-13(21)12-15(20(26)27)19-16(21)4-8-22(2)17(19)5-9-23(22)10-6-18(25)28-23;2-1(3,4)6-7-5;;;1-2/h4-5,7,14,19,21,24H,6,8-13,15H2,1-3H3;10,15-17,19H,4-9,11-12H2,1-3H3;5,12,16,18,20H,4,6-11,13H2,1-3H3;4,11,15,17,19H,3,5-10,12H2,1-2H3,(H,26,27);5H2;2*1H4;1-2H/t19-,21?,24?,25-,26-,27+;15?,16?,17-,19?,21+,22+,23-,24-;16-,18?,20?,22+,23+,24-;15-,17?,19?,21+,22+,23-;;;;/m0111..../s1
• InChIKey: UOMYGPSRKFDLEO-FPULOVJVSA-N
• XLogP: 19.10
• TPSA: 373.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 5
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1850.51
LogP ≤ 5	19.10
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (7R,10S,13S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylic acid;(7R,10S,13S,17R)-10,13-dimethyl-7-(5-methylfuran-2-yl)spiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione;hydrogen peroxide;methane;methyl (7R,10S,13S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate;methyl (1R,2S,9R,14R,15S,17R)-2,15-dimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate;O-(trichloromethoxy)hydroxylamine?

The IUPAC name of (7R,10S,13S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylic acid;(7R,10S,13S,17R)-10,13-dimethyl-7-(5-methylfuran-2-yl)spiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione;hydrogen peroxide;methane;methyl (7R,10S,13S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate;methyl (1R,2S,9R,14R,15S,17R)-2,15-dimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate;O-(trichloromethoxy)hydroxylamine (CID 161149696) is (7R,10S,13S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylic acid;(7R,10S,13S,17R)-10,13-dimethyl-7-(5-methylfuran-2-yl)spiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione;hydrogen peroxide;methane;methyl (7R,10S,13S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate;methyl (1R,2S,9R,14R,15S,17R)-2,15-dimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate;O-(trichloromethoxy)hydroxylamine.

What is the SMILES notation for (7R,10S,13S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylic acid;(7R,10S,13S,17R)-10,13-dimethyl-7-(5-methylfuran-2-yl)spiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione;hydrogen peroxide;methane;methyl (7R,10S,13S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate;methyl (1R,2S,9R,14R,15S,17R)-2,15-dimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate;O-(trichloromethoxy)hydroxylamine?

The canonical SMILES for (7R,10S,13S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylic acid;(7R,10S,13S,17R)-10,13-dimethyl-7-(5-methylfuran-2-yl)spiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione;hydrogen peroxide;methane;methyl (7R,10S,13S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate;methyl (1R,2S,9R,14R,15S,17R)-2,15-dimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate;O-(trichloromethoxy)hydroxylamine is C.C.COC(=O)C1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)C(CC[C@@]24CCC(=O)O4)C13.COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C2=CC[C@@]3(C)C(CC[C@@]34CCC(=O)O4)C21.C[C@]12CCC(=O)C=C1C[C@@H](C(=O)O)C1C2=CC[C@@]2(C)C1CC[C@@]21CCC(=O)O1.Cc1ccc([C@@H]2CC3=CC(=O)CC[C@]3(C)C3=CC[C@@]4(C)C(CC[C@@]45CCC(=O)O5)C32)o1.NOOC(Cl)(Cl)Cl.OO.

What is the InChIKey of (7R,10S,13S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylic acid;(7R,10S,13S,17R)-10,13-dimethyl-7-(5-methylfuran-2-yl)spiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione;hydrogen peroxide;methane;methyl (7R,10S,13S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate;methyl (1R,2S,9R,14R,15S,17R)-2,15-dimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate;O-(trichloromethoxy)hydroxylamine?

The InChIKey is UOMYGPSRKFDLEO-FPULOVJVSA-N. The full InChI is InChI=1S/C27H32O4.C24H30O6.C24H30O5.C23H28O5.CH2Cl3NO2.2CH4.H2O2/c1-16-4-5-22(30-16)19-15-17-14-18(28)6-10-25(17,2)20-7-11-26(3)21(24(19)20)8-12-27(26)13-9-23(29)31-27;1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17;1-22-8-4-15(25)12-14(22)13-16(21(27)28-3)20-17(22)5-9-23(2)18(20)6-10-24(23)11-7-19(26)29-24;1-21-7-3-14(24)11-13(21)12-15(20(26)27)19-16(21)4-8-22(2)17(19)5-9-23(22)10-6-18(25)28-23;2-1(3,4)6-7-5;;;1-2/h4-5,7,14,19,21,24H,6,8-13,15H2,1-3H3;10,15-17,19H,4-9,11-12H2,1-3H3;5,12,16,18,20H,4,6-11,13H2,1-3H3;4,11,15,17,19H,3,5-10,12H2,1-2H3,(H,26,27);5H2;2*1H4;1-2H/t19-,21?,24?,25-,26-,27+;15?,16?,17-,19?,21+,22+,23-,24-;16-,18?,20?,22+,23+,24-;15-,17?,19?,21+,22+,23-;;;;/m0111..../s1.

What are the key properties of (7R,10S,13S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylic acid;(7R,10S,13S,17R)-10,13-dimethyl-7-(5-methylfuran-2-yl)spiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione;hydrogen peroxide;methane;methyl (7R,10S,13S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate;methyl (1R,2S,9R,14R,15S,17R)-2,15-dimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate;O-(trichloromethoxy)hydroxylamine?

(7R,10S,13S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylic acid;(7R,10S,13S,17R)-10,13-dimethyl-7-(5-methylfuran-2-yl)spiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione;hydrogen peroxide;methane;methyl (7R,10S,13S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate;methyl (1R,2S,9R,14R,15S,17R)-2,15-dimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate;O-(trichloromethoxy)hydroxylamine has a molecular weight of 1850.51 g/mol, XLogP of 19.10, 5 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (7R,10S,13S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylic acid;(7R,10S,13S,17R)-10,13-dimethyl-7-(5-methylfuran-2-yl)spiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione;hydrogen peroxide;methane;methyl (7R,10S,13S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate;methyl (1R,2S,9R,14R,15S,17R)-2,15-dimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate;O-(trichloromethoxy)hydroxylamine is sourced from PubChem (CID 161149696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).