(Z,8S,9S,10R,11S,13R,14S,17S)-N-methoxy-17-[(Z)-N-methoxy-C-(trimethylsilyloxymethyl)carbonimidoyl]-10-methyl-11-trimethylsilyloxy-13-(trimethylsilyloxymethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-imine

C32H60N2O5Si3 — CID 20845940

IUPAC(Z,8S,9S,10R,11S,13R,14S,17S)-N-methoxy-17-[(Z)-N-methoxy-C-(trimethylsilyloxymethyl)carbonimidoyl]-10-methyl-11-trimethylsilyloxy-13-(trimethylsilyloxymethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-imine
SMILESCO/N=C1\C=C2CC[C@@H]3[C@H]([C@@H](O[Si](C)(C)C)C[C@]4(CO[Si](C)(C)C)[C@@H](/C(CO[Si](C)(C)C)=N/OC)CC[C@@H]34)[C@@]2(C)CC1
InChIInChI=1S/C32H60N2O5Si3/c1-31-18-17-24(33-35-2)19-23(31)13-14-25-26-15-16-27(28(34-36-3)21-37-40(4,5)6)32(26,22-38-41(7,8)9)20-29(30(25)31)39-42(10,11)12/h19,25-27,29-30H,13-18,20-22H2,1-12H3/b33-24-,34-28+/t25-,26-,27+,29-,30+,31-,32+/m0/s1
InChIKeyXOJWDKCJPHNNOH-VYEKICEHSA-N
MW637.10 g/mol
LogP8.08
Rot. Bonds11

About (Z,8S,9S,10R,11S,13R,14S,17S)-N-methoxy-17-[(Z)-N-methoxy-C-(trimethylsilyloxymethyl)carbonimidoyl]-10-methyl-11-trimethylsilyloxy-13-(trimethylsilyloxymethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-imine

(Z,8S,9S,10R,11S,13R,14S,17S)-N-methoxy-17-[(Z)-N-methoxy-C-(trimethylsilyloxymethyl)carbonimidoyl]-10-methyl-11-trimethylsilyloxy-13-(trimethylsilyloxymethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-imine (PubChem CID 20845940) has the molecular formula C32H60N2O5Si3 and a molecular weight of 637.10 g/mol. Its IUPAC name is (Z,8S,9S,10R,11S,13R,14S,17S)-N-methoxy-17-[(Z)-N-methoxy-C-(trimethylsilyloxymethyl)carbonimidoyl]-10-methyl-11-trimethylsilyloxy-13-(trimethylsilyloxymethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-imine.

Molecular Properties

Compound Name(Z,8S,9S,10R,11S,13R,14S,17S)-N-methoxy-17-[(Z)-N-methoxy-C-(trimethylsilyloxymethyl)carbonimidoyl]-10-methyl-11-trimethylsilyloxy-13-(trimethylsilyloxymethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-imine
PubChem CID20845940
Molecular FormulaC32H60N2O5Si3
Molecular Weight637.10 g/mol
Exact Mass636.38
IUPAC Name(Z,8S,9S,10R,11S,13R,14S,17S)-N-methoxy-17-[(Z)-N-methoxy-C-(trimethylsilyloxymethyl)carbonimidoyl]-10-methyl-11-trimethylsilyloxy-13-(trimethylsilyloxymethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-imine
SMILESCO/N=C1\C=C2CC[C@@H]3[C@H]([C@@H](O[Si](C)(C)C)C[C@]4(CO[Si](C)(C)C)[C@@H](/C(CO[Si](C)(C)C)=N/OC)CC[C@@H]34)[C@@]2(C)CC1
InChIInChI=1S/C32H60N2O5Si3/c1-31-18-17-24(33-35-2)19-23(31)13-14-25-26-15-16-27(28(34-36-3)21-37-40(4,5)6)32(26,22-38-41(7,8)9)20-29(30(25)31)39-42(10,11)12/h19,25-27,29-30H,13-18,20-22H2,1-12H3/b33-24-,34-28+/t25-,26-,27+,29-,30+,31-,32+/m0/s1
InChIKeyXOJWDKCJPHNNOH-VYEKICEHSA-N
XLogP8.08
TPSA70.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.10
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z,8S,9S,10R,11S,13R,14S,17S)-N-methoxy-17-[(Z)-N-methoxy-C-(trimethylsilyloxymethyl)carbonimidoyl]-10-methyl-11-trimethylsilyloxy-13-(trimethylsilyloxymethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E,8S,9S,10R,11S,13R,14S,17S)-N-methoxy-13-[(E)-methoxyiminomethyl]-17-[(E)-N-methoxy-C-(trimethylsilyloxymethyl)carbonimidoyl]-10-methyl-11-trimethylsilyloxy-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-imine
CID 20845913
(2E)-2-methoxyimino-2-[(3Z,8S,9S,10R,11S,13S,14S,17R)-3-methoxyimino-10,13-dimethyl-11,17-bis(trimethylsilyloxy)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol
CID 20845352
(Z,8S,9S,10R,11S,13S,14S,17R)-17-[(1R)-1,2-bis(trimethylsilyloxy)ethyl]-N-methoxy-10,13-dimethyl-11,17-bis(trimethylsilyloxy)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-imine
CID 20845434
(E,8S,9S,10R,11S,13R,14S,17S)-N-methoxy-13-[(E)-methoxyiminomethyl]-17-[(E)-N-methoxy-C-(trimethylsilyloxymethyl)carbonimidoyl]-10-methyl-11-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-imine
CID 177469941
(Z,5S,8S,9S,10S,11S,13S,14S,17S)-N-methoxy-17-[(Z)-N-methoxy-C-(trimethylsilyloxymethyl)carbonimidoyl]-10,13-dimethyl-11-trimethylsilyloxy-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-imine
CID 20845425
(8S,9S,10R,11S,13R,14S,17S)-10-methyl-3-oxo-11-trimethylsilyloxy-17-(2-trimethylsilyloxyacetyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde
CID 22296078
(Z,8R,9S,10R,13S,14S)-N-methoxy-10,13-dimethyl-17-trimethylsilyloxy-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-imine
CID 20845874
(Z)-1-[(3R,5R,8S,9S,10S,11S,13S,14S,17S)-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-methoxy-2-trimethylsilyloxyethanimine
CID 21159472
1-[(3R,5S,10S,11S,13S,17S)-10,13-dimethyl-3,11-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-methoxy-2-trimethylsilyloxyethanimine
CID 91753958
N-methoxy-17-(N-methoxy-C-methylcarbonimidoyl)-10,13-dimethyl-11-trimethylsilyloxy-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-imine
CID 552711
(3Z,6S,8R,9S,10R,13S,14S,17R)-3-methoxyimino-17-[(Z)-N-methoxy-C-(trimethylsilyloxymethyl)carbonimidoyl]-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ol
CID 101280426
3-methoxyimino-17-(N-methoxy-C-methylcarbonimidoyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ol
CID 530047

Frequently Asked Questions

What is the IUPAC name of (Z,8S,9S,10R,11S,13R,14S,17S)-N-methoxy-17-[(Z)-N-methoxy-C-(trimethylsilyloxymethyl)carbonimidoyl]-10-methyl-11-trimethylsilyloxy-13-(trimethylsilyloxymethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-imine?
The IUPAC name of (Z,8S,9S,10R,11S,13R,14S,17S)-N-methoxy-17-[(Z)-N-methoxy-C-(trimethylsilyloxymethyl)carbonimidoyl]-10-methyl-11-trimethylsilyloxy-13-(trimethylsilyloxymethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-imine (CID 20845940) is (Z,8S,9S,10R,11S,13R,14S,17S)-N-methoxy-17-[(Z)-N-methoxy-C-(trimethylsilyloxymethyl)carbonimidoyl]-10-methyl-11-trimethylsilyloxy-13-(trimethylsilyloxymethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-imine.
What is the SMILES notation for (Z,8S,9S,10R,11S,13R,14S,17S)-N-methoxy-17-[(Z)-N-methoxy-C-(trimethylsilyloxymethyl)carbonimidoyl]-10-methyl-11-trimethylsilyloxy-13-(trimethylsilyloxymethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-imine?
The canonical SMILES for (Z,8S,9S,10R,11S,13R,14S,17S)-N-methoxy-17-[(Z)-N-methoxy-C-(trimethylsilyloxymethyl)carbonimidoyl]-10-methyl-11-trimethylsilyloxy-13-(trimethylsilyloxymethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-imine is CO/N=C1\C=C2CC[C@@H]3[C@H]([C@@H](O[Si](C)(C)C)C[C@]4(CO[Si](C)(C)C)[C@@H](/C(CO[Si](C)(C)C)=N/OC)CC[C@@H]34)[C@@]2(C)CC1.
What is the InChIKey of (Z,8S,9S,10R,11S,13R,14S,17S)-N-methoxy-17-[(Z)-N-methoxy-C-(trimethylsilyloxymethyl)carbonimidoyl]-10-methyl-11-trimethylsilyloxy-13-(trimethylsilyloxymethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-imine?
The InChIKey is XOJWDKCJPHNNOH-VYEKICEHSA-N. The full InChI is InChI=1S/C32H60N2O5Si3/c1-31-18-17-24(33-35-2)19-23(31)13-14-25-26-15-16-27(28(34-36-3)21-37-40(4,5)6)32(26,22-38-41(7,8)9)20-29(30(25)31)39-42(10,11)12/h19,25-27,29-30H,13-18,20-22H2,1-12H3/b33-24-,34-28+/t25-,26-,27+,29-,30+,31-,32+/m0/s1.
What are the key properties of (Z,8S,9S,10R,11S,13R,14S,17S)-N-methoxy-17-[(Z)-N-methoxy-C-(trimethylsilyloxymethyl)carbonimidoyl]-10-methyl-11-trimethylsilyloxy-13-(trimethylsilyloxymethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-imine?
(Z,8S,9S,10R,11S,13R,14S,17S)-N-methoxy-17-[(Z)-N-methoxy-C-(trimethylsilyloxymethyl)carbonimidoyl]-10-methyl-11-trimethylsilyloxy-13-(trimethylsilyloxymethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-imine has a molecular weight of 637.10 g/mol, XLogP of 8.08, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,8S,9S,10R,11S,13R,14S,17S)-N-methoxy-17-[(Z)-N-methoxy-C-(trimethylsilyloxymethyl)carbonimidoyl]-10-methyl-11-trimethylsilyloxy-13-(trimethylsilyloxymethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-imine is sourced from PubChem (CID 20845940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).