(3'R,4S,6'R,7'S,8'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-7'-(hydroxymethyl)-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-7'-(hydroxymethyl)-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'R,10'R,13'R)-7-chloro-7'-hydroxy-7',13'-dimethyl-14',14'-dioxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-14λ6-thia-1,15-diazapentacyclo[15.7.2.03,6.08,10.020,25]hexacosa-17(26),18,20(25)-triene]-16'-one;(3'R,4S,6'R,7'R,8'S,10'S,13'R)-7-chloro-7'-hydroxy-7',13'-dimethyl-14'-methylidene-14'-oxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-14λ6-thia-1,15-diazapentacyclo[15.7.2.03,6.08,10.020,25]hexacosa-17(26),18,20(25)-triene]-16'-one

C133H166Cl4N8O21S4 — CID 159794723

About (3'R,4S,6'R,7'S,8'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-7'-(hydroxymethyl)-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-7'-(hydroxymethyl)-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'R,10'R,13'R)-7-chloro-7'-hydroxy-7',13'-dimethyl-14',14'-dioxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-14λ6-thia-1,15-diazapentacyclo[15.7.2.03,6.08,10.020,25]hexacosa-17(26),18,20(25)-triene]-16'-one;(3'R,4S,6'R,7'R,8'S,10'S,13'R)-7-chloro-7'-hydroxy-7',13'-dimethyl-14'-methylidene-14'-oxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-14λ6-thia-1,15-diazapentacyclo[15.7.2.03,6.08,10.020,25]hexacosa-17(26),18,20(25)-triene]-16'-one

(3'R,4S,6'R,7'S,8'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-7'-(hydroxymethyl)-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-7'-(hydroxymethyl)-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'R,10'R,13'R)-7-chloro-7'-hydroxy-7',13'-dimethyl-14',14'-dioxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-14λ6-thia-1,15-diazapentacyclo[15.7.2.03,6.08,10.020,25]hexacosa-17(26),18,20(25)-triene]-16'-one;(3'R,4S,6'R,7'R,8'S,10'S,13'R)-7-chloro-7'-hydroxy-7',13'-dimethyl-14'-methylidene-14'-oxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-14λ6-thia-1,15-diazapentacyclo[15.7.2.03,6.08,10.020,25]hexacosa-17(26),18,20(25)-triene]-16'-one (PubChem CID 159794723) has the molecular formula C133H166Cl4N8O21S4 and a molecular weight of 2482.91 g/mol. Its IUPAC name is (3'R,4S,6'R,7'S,8'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-7'-(hydroxymethyl)-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-7'-(hydroxymethyl)-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'R,10'R,13'R)-7-chloro-7'-hydroxy-7',13'-dimethyl-14',14'-dioxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-14λ6-thia-1,15-diazapentacyclo[15.7.2.03,6.08,10.020,25]hexacosa-17(26),18,20(25)-triene]-16'-one;(3'R,4S,6'R,7'R,8'S,10'S,13'R)-7-chloro-7'-hydroxy-7',13'-dimethyl-14'-methylidene-14'-oxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-14λ6-thia-1,15-diazapentacyclo[15.7.2.03,6.08,10.020,25]hexacosa-17(26),18,20(25)-triene]-16'-one.

Molecular Properties

• Compound Name: (3'R,4S,6'R,7'S,8'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-7'-(hydroxymethyl)-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-7'-(hydroxymethyl)-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'R,10'R,13'R)-7-chloro-7'-hydroxy-7',13'-dimethyl-14',14'-dioxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-14λ6-thia-1,15-diazapentacyclo[15.7.2.03,6.08,10.020,25]hexacosa-17(26),18,20(25)-triene]-16'-one;(3'R,4S,6'R,7'R,8'S,10'S,13'R)-7-chloro-7'-hydroxy-7',13'-dimethyl-14'-methylidene-14'-oxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-14λ6-thia-1,15-diazapentacyclo[15.7.2.03,6.08,10.020,25]hexacosa-17(26),18,20(25)-triene]-16'-one
• PubChem CID: 159794723
• Molecular Formula: C133H166Cl4N8O21S4
• Molecular Weight: 2482.91 g/mol
• Exact Mass: 2478.98
• IUPAC Name: (3'R,4S,6'R,7'S,8'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-7'-(hydroxymethyl)-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-7'-(hydroxymethyl)-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'R,10'R,13'R)-7-chloro-7'-hydroxy-7',13'-dimethyl-14',14'-dioxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-14λ6-thia-1,15-diazapentacyclo[15.7.2.03,6.08,10.020,25]hexacosa-17(26),18,20(25)-triene]-16'-one;(3'R,4S,6'R,7'R,8'S,10'S,13'R)-7-chloro-7'-hydroxy-7',13'-dimethyl-14'-methylidene-14'-oxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-14λ6-thia-1,15-diazapentacyclo[15.7.2.03,6.08,10.020,25]hexacosa-17(26),18,20(25)-triene]-16'-one
• SMILES: C=S1(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]2[C@](C)(O)[C@H]2C[C@@H]2CC[C@H]1C)C[C@@]1(CCCc2cc(Cl)ccc21)CO3.CC[C@@H]1CC/C=C/[C@@](O)(CO)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS1(=O)=O.CC[C@@H]1CC/C=C/[C@](O)(CO)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS1(=O)=O.C[C@@H]1CC[C@@H]2C[C@H]2[C@@](C)(O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS1(=O)=O
• InChI: InChI=1S/C34H43ClN2O4S.2C33H41ClN2O6S.C33H41ClN2O5S/c1-21-6-7-23-16-29(23)33(2,39)27-11-8-25(27)18-37-19-34(14-4-5-22-15-26(35)10-12-28(22)34)20-41-31-13-9-24(17-30(31)37)32(38)36-42(21,3)40;2*1-2-26-7-3-4-15-33(39,20-37)28-11-8-24(28)18-36-19-32(14-5-6-22-16-25(34)10-12-27(22)32)21-42-30-13-9-23(17-29(30)36)31(38)35-43(26,40)41;1-20-5-6-22-15-28(22)32(2,38)26-10-7-24(26)17-36-18-33(13-3-4-21-14-25(34)9-11-27(21)33)19-41-30-12-8-23(16-29(30)36)31(37)35-42(20,39)40/h9-10,12-13,15,17,21,23,25,27,29,39H,3-8,11,14,16,18-20H2,1-2H3,(H,36,38,40);2*4,9-10,12-13,15-17,24,26,28,37,39H,2-3,5-8,11,14,18-21H2,1H3,(H,35,38);8-9,11-12,14,16,20,22,24,26,28,38H,3-7,10,13,15,17-19H2,1-2H3,(H,35,37)/b;2*15-4+;/t21-,23+,25+,27-,29+,33+,34+,42?;24-,26+,28+,32-,33+;24-,26+,28+,32-,33-;20-,22-,24+,26-,28-,32+,33+/m1001/s1
• InChIKey: NJAFEPRCYINHNU-AHFIOMJVSA-N
• XLogP: 20.74
• TPSA: 407.15 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 4
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2482.91
LogP ≤ 5	20.74
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3'R,4S,6'R,7'S,8'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-7'-(hydroxymethyl)-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-7'-(hydroxymethyl)-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'R,10'R,13'R)-7-chloro-7'-hydroxy-7',13'-dimethyl-14',14'-dioxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-14λ6-thia-1,15-diazapentacyclo[15.7.2.03,6.08,10.020,25]hexacosa-17(26),18,20(25)-triene]-16'-one;(3'R,4S,6'R,7'R,8'S,10'S,13'R)-7-chloro-7'-hydroxy-7',13'-dimethyl-14'-methylidene-14'-oxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-14λ6-thia-1,15-diazapentacyclo[15.7.2.03,6.08,10.020,25]hexacosa-17(26),18,20(25)-triene]-16'-one?

The IUPAC name of (3'R,4S,6'R,7'S,8'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-7'-(hydroxymethyl)-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-7'-(hydroxymethyl)-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'R,10'R,13'R)-7-chloro-7'-hydroxy-7',13'-dimethyl-14',14'-dioxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-14λ6-thia-1,15-diazapentacyclo[15.7.2.03,6.08,10.020,25]hexacosa-17(26),18,20(25)-triene]-16'-one;(3'R,4S,6'R,7'R,8'S,10'S,13'R)-7-chloro-7'-hydroxy-7',13'-dimethyl-14'-methylidene-14'-oxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-14λ6-thia-1,15-diazapentacyclo[15.7.2.03,6.08,10.020,25]hexacosa-17(26),18,20(25)-triene]-16'-one (CID 159794723) is (3'R,4S,6'R,7'S,8'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-7'-(hydroxymethyl)-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-7'-(hydroxymethyl)-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'R,10'R,13'R)-7-chloro-7'-hydroxy-7',13'-dimethyl-14',14'-dioxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-14λ6-thia-1,15-diazapentacyclo[15.7.2.03,6.08,10.020,25]hexacosa-17(26),18,20(25)-triene]-16'-one;(3'R,4S,6'R,7'R,8'S,10'S,13'R)-7-chloro-7'-hydroxy-7',13'-dimethyl-14'-methylidene-14'-oxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-14λ6-thia-1,15-diazapentacyclo[15.7.2.03,6.08,10.020,25]hexacosa-17(26),18,20(25)-triene]-16'-one.

What is the SMILES notation for (3'R,4S,6'R,7'S,8'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-7'-(hydroxymethyl)-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-7'-(hydroxymethyl)-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'R,10'R,13'R)-7-chloro-7'-hydroxy-7',13'-dimethyl-14',14'-dioxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-14λ6-thia-1,15-diazapentacyclo[15.7.2.03,6.08,10.020,25]hexacosa-17(26),18,20(25)-triene]-16'-one;(3'R,4S,6'R,7'R,8'S,10'S,13'R)-7-chloro-7'-hydroxy-7',13'-dimethyl-14'-methylidene-14'-oxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-14λ6-thia-1,15-diazapentacyclo[15.7.2.03,6.08,10.020,25]hexacosa-17(26),18,20(25)-triene]-16'-one?

The canonical SMILES for (3'R,4S,6'R,7'S,8'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-7'-(hydroxymethyl)-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-7'-(hydroxymethyl)-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'R,10'R,13'R)-7-chloro-7'-hydroxy-7',13'-dimethyl-14',14'-dioxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-14λ6-thia-1,15-diazapentacyclo[15.7.2.03,6.08,10.020,25]hexacosa-17(26),18,20(25)-triene]-16'-one;(3'R,4S,6'R,7'R,8'S,10'S,13'R)-7-chloro-7'-hydroxy-7',13'-dimethyl-14'-methylidene-14'-oxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-14λ6-thia-1,15-diazapentacyclo[15.7.2.03,6.08,10.020,25]hexacosa-17(26),18,20(25)-triene]-16'-one is C=S1(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]2[C@](C)(O)[C@H]2C[C@@H]2CC[C@H]1C)C[C@@]1(CCCc2cc(Cl)ccc21)CO3.CC[C@@H]1CC/C=C/[C@@](O)(CO)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS1(=O)=O.CC[C@@H]1CC/C=C/[C@](O)(CO)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS1(=O)=O.C[C@@H]1CC[C@@H]2C[C@H]2[C@@](C)(O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS1(=O)=O.

What is the InChIKey of (3'R,4S,6'R,7'S,8'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-7'-(hydroxymethyl)-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-7'-(hydroxymethyl)-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'R,10'R,13'R)-7-chloro-7'-hydroxy-7',13'-dimethyl-14',14'-dioxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-14λ6-thia-1,15-diazapentacyclo[15.7.2.03,6.08,10.020,25]hexacosa-17(26),18,20(25)-triene]-16'-one;(3'R,4S,6'R,7'R,8'S,10'S,13'R)-7-chloro-7'-hydroxy-7',13'-dimethyl-14'-methylidene-14'-oxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-14λ6-thia-1,15-diazapentacyclo[15.7.2.03,6.08,10.020,25]hexacosa-17(26),18,20(25)-triene]-16'-one?

The InChIKey is NJAFEPRCYINHNU-AHFIOMJVSA-N. The full InChI is InChI=1S/C34H43ClN2O4S.2C33H41ClN2O6S.C33H41ClN2O5S/c1-21-6-7-23-16-29(23)33(2,39)27-11-8-25(27)18-37-19-34(14-4-5-22-15-26(35)10-12-28(22)34)20-41-31-13-9-24(17-30(31)37)32(38)36-42(21,3)40;2*1-2-26-7-3-4-15-33(39,20-37)28-11-8-24(28)18-36-19-32(14-5-6-22-16-25(34)10-12-27(22)32)21-42-30-13-9-23(17-29(30)36)31(38)35-43(26,40)41;1-20-5-6-22-15-28(22)32(2,38)26-10-7-24(26)17-36-18-33(13-3-4-21-14-25(34)9-11-27(21)33)19-41-30-12-8-23(16-29(30)36)31(37)35-42(20,39)40/h9-10,12-13,15,17,21,23,25,27,29,39H,3-8,11,14,16,18-20H2,1-2H3,(H,36,38,40);2*4,9-10,12-13,15-17,24,26,28,37,39H,2-3,5-8,11,14,18-21H2,1H3,(H,35,38);8-9,11-12,14,16,20,22,24,26,28,38H,3-7,10,13,15,17-19H2,1-2H3,(H,35,37)/b;2*15-4+;/t21-,23+,25+,27-,29+,33+,34+,42?;24-,26+,28+,32-,33+;24-,26+,28+,32-,33-;20-,22-,24+,26-,28-,32+,33+/m1001/s1.

What are the key properties of (3'R,4S,6'R,7'S,8'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-7'-(hydroxymethyl)-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-7'-(hydroxymethyl)-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'R,10'R,13'R)-7-chloro-7'-hydroxy-7',13'-dimethyl-14',14'-dioxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-14λ6-thia-1,15-diazapentacyclo[15.7.2.03,6.08,10.020,25]hexacosa-17(26),18,20(25)-triene]-16'-one;(3'R,4S,6'R,7'R,8'S,10'S,13'R)-7-chloro-7'-hydroxy-7',13'-dimethyl-14'-methylidene-14'-oxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-14λ6-thia-1,15-diazapentacyclo[15.7.2.03,6.08,10.020,25]hexacosa-17(26),18,20(25)-triene]-16'-one?

(3'R,4S,6'R,7'S,8'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-7'-(hydroxymethyl)-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-7'-(hydroxymethyl)-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'R,10'R,13'R)-7-chloro-7'-hydroxy-7',13'-dimethyl-14',14'-dioxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-14λ6-thia-1,15-diazapentacyclo[15.7.2.03,6.08,10.020,25]hexacosa-17(26),18,20(25)-triene]-16'-one;(3'R,4S,6'R,7'R,8'S,10'S,13'R)-7-chloro-7'-hydroxy-7',13'-dimethyl-14'-methylidene-14'-oxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-14λ6-thia-1,15-diazapentacyclo[15.7.2.03,6.08,10.020,25]hexacosa-17(26),18,20(25)-triene]-16'-one has a molecular weight of 2482.91 g/mol, XLogP of 20.74, 4 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (3'R,4S,6'R,7'S,8'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-7'-(hydroxymethyl)-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'E,12'R)-7-chloro-12'-ethyl-7'-hydroxy-7'-(hydroxymethyl)-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one;(3'R,4S,6'R,7'R,8'R,10'R,13'R)-7-chloro-7'-hydroxy-7',13'-dimethyl-14',14'-dioxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-14λ6-thia-1,15-diazapentacyclo[15.7.2.03,6.08,10.020,25]hexacosa-17(26),18,20(25)-triene]-16'-one;(3'R,4S,6'R,7'R,8'S,10'S,13'R)-7-chloro-7'-hydroxy-7',13'-dimethyl-14'-methylidene-14'-oxospiro[2,3-dihydro-1H-naphthalene-4,23'-21-oxa-14λ6-thia-1,15-diazapentacyclo[15.7.2.03,6.08,10.020,25]hexacosa-17(26),18,20(25)-triene]-16'-one is sourced from PubChem (CID 159794723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).