(13R,20S)-13-acetyl-7'-chloro-13-hydroxy-10-methylspiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-14(23),15,17(22)-triene-20,4'-2,3-dihydro-1H-naphthalene]-11-one;(13S,20S)-13-acetyl-7'-chloro-13-hydroxy-10-methylspiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-14(23),15,17(22)-triene-20,4'-2,3-dihydro-1H-naphthalene]-11-one;(7E,12S,13R,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12R,13R,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12S,13S,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12R,13S,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid

C192H238Cl6N12O28 — CID 160525799

About (13R,20S)-13-acetyl-7'-chloro-13-hydroxy-10-methylspiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-14(23),15,17(22)-triene-20,4'-2,3-dihydro-1H-naphthalene]-11-one;(13S,20S)-13-acetyl-7'-chloro-13-hydroxy-10-methylspiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-14(23),15,17(22)-triene-20,4'-2,3-dihydro-1H-naphthalene]-11-one;(7E,12S,13R,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12R,13R,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12S,13S,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12R,13S,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid

(13R,20S)-13-acetyl-7'-chloro-13-hydroxy-10-methylspiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-14(23),15,17(22)-triene-20,4'-2,3-dihydro-1H-naphthalene]-11-one;(13S,20S)-13-acetyl-7'-chloro-13-hydroxy-10-methylspiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-14(23),15,17(22)-triene-20,4'-2,3-dihydro-1H-naphthalene]-11-one;(7E,12S,13R,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12R,13R,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12S,13S,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12R,13S,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid (PubChem CID 160525799) has the molecular formula C192H238Cl6N12O28 and a molecular weight of 3374.79 g/mol. Its IUPAC name is (13R,20S)-13-acetyl-7'-chloro-13-hydroxy-10-methylspiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-14(23),15,17(22)-triene-20,4'-2,3-dihydro-1H-naphthalene]-11-one;(13S,20S)-13-acetyl-7'-chloro-13-hydroxy-10-methylspiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-14(23),15,17(22)-triene-20,4'-2,3-dihydro-1H-naphthalene]-11-one;(7E,12S,13R,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12R,13R,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12S,13S,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12R,13S,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid.

Molecular Properties

• Compound Name: (13R,20S)-13-acetyl-7'-chloro-13-hydroxy-10-methylspiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-14(23),15,17(22)-triene-20,4'-2,3-dihydro-1H-naphthalene]-11-one;(13S,20S)-13-acetyl-7'-chloro-13-hydroxy-10-methylspiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-14(23),15,17(22)-triene-20,4'-2,3-dihydro-1H-naphthalene]-11-one;(7E,12S,13R,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12R,13R,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12S,13S,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12R,13S,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid
• PubChem CID: 160525799
• Molecular Formula: C192H238Cl6N12O28
• Molecular Weight: 3374.79 g/mol
• Exact Mass: 3369.57
• IUPAC Name: (13R,20S)-13-acetyl-7'-chloro-13-hydroxy-10-methylspiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-14(23),15,17(22)-triene-20,4'-2,3-dihydro-1H-naphthalene]-11-one;(13S,20S)-13-acetyl-7'-chloro-13-hydroxy-10-methylspiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-14(23),15,17(22)-triene-20,4'-2,3-dihydro-1H-naphthalene]-11-one;(7E,12S,13R,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12R,13R,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12S,13S,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12R,13S,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid
• SMILES: CC(=O)[C@@]1(O)CC(=O)N(C)CCCCCCCCN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc1cc32.CC(=O)[C@]1(O)CC(=O)N(C)CCCCCCCCN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc1cc32.C[C@@H]1C(=O)N(C)C/C=C/CCCCCN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)[C@@]1(O)C(=O)O.C[C@@H]1C(=O)N(C)C/C=C/CCCCCN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)[C@]1(O)C(=O)O.C[C@H]1C(=O)N(C)C/C=C/CCCCCN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)[C@@]1(O)C(=O)O.C[C@H]1C(=O)N(C)C/C=C/CCCCCN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)[C@]1(O)C(=O)O
• InChI: InChI=1S/4C32H39ClN2O5.2C32H41ClN2O4/c4*1-22-29(36)34(2)16-7-5-3-4-6-8-17-35-20-31(15-9-10-23-18-25(33)12-13-26(23)31)21-40-28-14-11-24(19-27(28)35)32(22,39)30(37)38;2*1-23(36)32(38)20-30(37)34(2)16-7-5-3-4-6-8-17-35-21-31(22-39-29-14-11-25(32)19-28(29)35)15-9-10-24-18-26(33)12-13-27(24)31/h4*5,7,11-14,18-19,22,39H,3-4,6,8-10,15-17,20-21H2,1-2H3,(H,37,38);2*11-14,18-19,38H,3-10,15-17,20-22H2,1-2H3/b4*7-5+;;/t22-,31+,32+;22-,31+,32-;22-,31-,32+;22-,31-,32-;31-,32+;31-,32-/m110000/s1
• InChIKey: QUWILKGTNZCLKC-NABOVCSBSA-N
• XLogP: 32.82
• TPSA: 501.40 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 6
• Heavy Atoms: 238
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3374.79
LogP ≤ 5	32.82
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (13R,20S)-13-acetyl-7'-chloro-13-hydroxy-10-methylspiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-14(23),15,17(22)-triene-20,4'-2,3-dihydro-1H-naphthalene]-11-one;(13S,20S)-13-acetyl-7'-chloro-13-hydroxy-10-methylspiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-14(23),15,17(22)-triene-20,4'-2,3-dihydro-1H-naphthalene]-11-one;(7E,12S,13R,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12R,13R,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12S,13S,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12R,13S,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid?

The IUPAC name of (13R,20S)-13-acetyl-7'-chloro-13-hydroxy-10-methylspiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-14(23),15,17(22)-triene-20,4'-2,3-dihydro-1H-naphthalene]-11-one;(13S,20S)-13-acetyl-7'-chloro-13-hydroxy-10-methylspiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-14(23),15,17(22)-triene-20,4'-2,3-dihydro-1H-naphthalene]-11-one;(7E,12S,13R,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12R,13R,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12S,13S,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12R,13S,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid (CID 160525799) is (13R,20S)-13-acetyl-7'-chloro-13-hydroxy-10-methylspiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-14(23),15,17(22)-triene-20,4'-2,3-dihydro-1H-naphthalene]-11-one;(13S,20S)-13-acetyl-7'-chloro-13-hydroxy-10-methylspiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-14(23),15,17(22)-triene-20,4'-2,3-dihydro-1H-naphthalene]-11-one;(7E,12S,13R,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12R,13R,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12S,13S,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12R,13S,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid.

What is the SMILES notation for (13R,20S)-13-acetyl-7'-chloro-13-hydroxy-10-methylspiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-14(23),15,17(22)-triene-20,4'-2,3-dihydro-1H-naphthalene]-11-one;(13S,20S)-13-acetyl-7'-chloro-13-hydroxy-10-methylspiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-14(23),15,17(22)-triene-20,4'-2,3-dihydro-1H-naphthalene]-11-one;(7E,12S,13R,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12R,13R,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12S,13S,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12R,13S,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid?

The canonical SMILES for (13R,20S)-13-acetyl-7'-chloro-13-hydroxy-10-methylspiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-14(23),15,17(22)-triene-20,4'-2,3-dihydro-1H-naphthalene]-11-one;(13S,20S)-13-acetyl-7'-chloro-13-hydroxy-10-methylspiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-14(23),15,17(22)-triene-20,4'-2,3-dihydro-1H-naphthalene]-11-one;(7E,12S,13R,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12R,13R,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12S,13S,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12R,13S,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid is CC(=O)[C@@]1(O)CC(=O)N(C)CCCCCCCCN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc1cc32.CC(=O)[C@]1(O)CC(=O)N(C)CCCCCCCCN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc1cc32.C[C@@H]1C(=O)N(C)C/C=C/CCCCCN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)[C@@]1(O)C(=O)O.C[C@@H]1C(=O)N(C)C/C=C/CCCCCN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)[C@]1(O)C(=O)O.C[C@H]1C(=O)N(C)C/C=C/CCCCCN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)[C@@]1(O)C(=O)O.C[C@H]1C(=O)N(C)C/C=C/CCCCCN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)[C@]1(O)C(=O)O.

What is the InChIKey of (13R,20S)-13-acetyl-7'-chloro-13-hydroxy-10-methylspiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-14(23),15,17(22)-triene-20,4'-2,3-dihydro-1H-naphthalene]-11-one;(13S,20S)-13-acetyl-7'-chloro-13-hydroxy-10-methylspiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-14(23),15,17(22)-triene-20,4'-2,3-dihydro-1H-naphthalene]-11-one;(7E,12S,13R,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12R,13R,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12S,13S,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12R,13S,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid?

The InChIKey is QUWILKGTNZCLKC-NABOVCSBSA-N. The full InChI is InChI=1S/4C32H39ClN2O5.2C32H41ClN2O4/c4*1-22-29(36)34(2)16-7-5-3-4-6-8-17-35-20-31(15-9-10-23-18-25(33)12-13-26(23)31)21-40-28-14-11-24(19-27(28)35)32(22,39)30(37)38;2*1-23(36)32(38)20-30(37)34(2)16-7-5-3-4-6-8-17-35-21-31(22-39-29-14-11-25(32)19-28(29)35)15-9-10-24-18-26(33)12-13-27(24)31/h4*5,7,11-14,18-19,22,39H,3-4,6,8-10,15-17,20-21H2,1-2H3,(H,37,38);2*11-14,18-19,38H,3-10,15-17,20-22H2,1-2H3/b4*7-5+;;/t22-,31+,32+;22-,31+,32-;22-,31-,32+;22-,31-,32-;31-,32+;31-,32-/m110000/s1.

What are the key properties of (13R,20S)-13-acetyl-7'-chloro-13-hydroxy-10-methylspiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-14(23),15,17(22)-triene-20,4'-2,3-dihydro-1H-naphthalene]-11-one;(13S,20S)-13-acetyl-7'-chloro-13-hydroxy-10-methylspiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-14(23),15,17(22)-triene-20,4'-2,3-dihydro-1H-naphthalene]-11-one;(7E,12S,13R,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12R,13R,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12S,13S,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12R,13S,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid?

(13R,20S)-13-acetyl-7'-chloro-13-hydroxy-10-methylspiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-14(23),15,17(22)-triene-20,4'-2,3-dihydro-1H-naphthalene]-11-one;(13S,20S)-13-acetyl-7'-chloro-13-hydroxy-10-methylspiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-14(23),15,17(22)-triene-20,4'-2,3-dihydro-1H-naphthalene]-11-one;(7E,12S,13R,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12R,13R,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12S,13S,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12R,13S,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid has a molecular weight of 3374.79 g/mol, XLogP of 32.82, 6 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (13R,20S)-13-acetyl-7'-chloro-13-hydroxy-10-methylspiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-14(23),15,17(22)-triene-20,4'-2,3-dihydro-1H-naphthalene]-11-one;(13S,20S)-13-acetyl-7'-chloro-13-hydroxy-10-methylspiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-14(23),15,17(22)-triene-20,4'-2,3-dihydro-1H-naphthalene]-11-one;(7E,12S,13R,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12R,13R,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12S,13S,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid;(7E,12R,13S,20S)-7'-chloro-13-hydroxy-10,12-dimethyl-11-oxospiro[18-oxa-1,10-diazatricyclo[12.7.2.017,22]tricosa-7,14(23),15,17(22)-tetraene-20,4'-2,3-dihydro-1H-naphthalene]-13-carboxylic acid is sourced from PubChem (CID 160525799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).