(5S,7'S,11'R)-18'-cyclopropyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-7',18'-dimethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-18'-ethenyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-18'-ethyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione

C118H152O15 — CID 160845376

About (5S,7'S,11'R)-18'-cyclopropyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-7',18'-dimethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-18'-ethenyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-18'-ethyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione

(5S,7'S,11'R)-18'-cyclopropyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-7',18'-dimethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-18'-ethenyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-18'-ethyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione (PubChem CID 160845376) has the molecular formula C118H152O15 and a molecular weight of 1810.50 g/mol. Its IUPAC name is (5S,7'S,11'R)-18'-cyclopropyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-7',18'-dimethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-18'-ethenyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-18'-ethyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione.

Molecular Properties

• Compound Name: (5S,7'S,11'R)-18'-cyclopropyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-7',18'-dimethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-18'-ethenyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-18'-ethyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione
• PubChem CID: 160845376
• Molecular Formula: C118H152O15
• Molecular Weight: 1810.50 g/mol
• Exact Mass: 1809.11
• IUPAC Name: (5S,7'S,11'R)-18'-cyclopropyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-7',18'-dimethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-18'-ethenyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-18'-ethyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione
• SMILES: C=CC1CC2=CC(=O)CC[C@@H]2C2CC[C@@]3(C)C(C4CC4[C@@]34CCC(=O)O4)C12.CC1CC2=CC(=O)CC[C@@H]2C2CC[C@@]3(C)C(C4CC4[C@@]34CCC(=O)O4)C12.CCC1CC2=CC(=O)CC[C@@H]2C2CC[C@@]3(C)C(C4CC4[C@@]34CCC(=O)O4)C12.C[C@]12CCC3C(C(C4CC4)CC4=CC(=O)CC[C@@H]43)C1C1CC1[C@@]21CCC(=O)O1.C[C@]12CCC3C(CCC4=CC(=O)CC[C@@H]43)C1C1CC1[C@@]21CCC(=O)O1
• InChI: InChI=1S/C25H32O3.C24H32O3.C24H30O3.C23H30O3.C22H28O3/c1-24-8-6-17-16-5-4-15(26)10-14(16)11-18(13-2-3-13)22(17)23(24)19-12-20(19)25(24)9-7-21(27)28-25;2*1-3-13-10-14-11-15(25)4-5-16(14)17-6-8-23(2)22(21(13)17)18-12-19(18)24(23)9-7-20(26)27-24;1-12-9-13-10-14(24)3-4-15(13)16-5-7-22(2)21(20(12)16)17-11-18(17)23(22)8-6-19(25)26-23;1-21-8-6-15-14-5-3-13(23)10-12(14)2-4-16(15)20(21)17-11-18(17)22(21)9-7-19(24)25-22/h10,13,16-20,22-23H,2-9,11-12H2,1H3;11,13,16-19,21-22H,3-10,12H2,1-2H3;3,11,13,16-19,21-22H,1,4-10,12H2,2H3;10,12,15-18,20-21H,3-9,11H2,1-2H3;10,14-18,20H,2-9,11H2,1H3/t16-,17?,18?,19?,20?,22?,23?,24-,25-;2*13?,16-,17?,18?,19?,21?,22?,23-,24-;12?,15-,16?,17?,18?,20?,21?,22-,23-;14-,15?,16?,17?,18?,20?,21-,22-/m00000/s1
• InChIKey: SIOOTHZYCQBYQA-WKHXGETJSA-N
• XLogP: 22.23
• TPSA: 216.85 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 3
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1810.50
LogP ≤ 5	22.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5S,7'S,11'R)-18'-cyclopropyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-7',18'-dimethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-18'-ethenyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-18'-ethyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione?

The IUPAC name of (5S,7'S,11'R)-18'-cyclopropyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-7',18'-dimethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-18'-ethenyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-18'-ethyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione (CID 160845376) is (5S,7'S,11'R)-18'-cyclopropyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-7',18'-dimethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-18'-ethenyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-18'-ethyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione.

What is the SMILES notation for (5S,7'S,11'R)-18'-cyclopropyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-7',18'-dimethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-18'-ethenyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-18'-ethyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione?

The canonical SMILES for (5S,7'S,11'R)-18'-cyclopropyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-7',18'-dimethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-18'-ethenyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-18'-ethyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione is C=CC1CC2=CC(=O)CC[C@@H]2C2CC[C@@]3(C)C(C4CC4[C@@]34CCC(=O)O4)C12.CC1CC2=CC(=O)CC[C@@H]2C2CC[C@@]3(C)C(C4CC4[C@@]34CCC(=O)O4)C12.CCC1CC2=CC(=O)CC[C@@H]2C2CC[C@@]3(C)C(C4CC4[C@@]34CCC(=O)O4)C12.C[C@]12CCC3C(C(C4CC4)CC4=CC(=O)CC[C@@H]43)C1C1CC1[C@@]21CCC(=O)O1.C[C@]12CCC3C(CCC4=CC(=O)CC[C@@H]43)C1C1CC1[C@@]21CCC(=O)O1.

What is the InChIKey of (5S,7'S,11'R)-18'-cyclopropyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-7',18'-dimethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-18'-ethenyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-18'-ethyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione?

The InChIKey is SIOOTHZYCQBYQA-WKHXGETJSA-N. The full InChI is InChI=1S/C25H32O3.C24H32O3.C24H30O3.C23H30O3.C22H28O3/c1-24-8-6-17-16-5-4-15(26)10-14(16)11-18(13-2-3-13)22(17)23(24)19-12-20(19)25(24)9-7-21(27)28-25;2*1-3-13-10-14-11-15(25)4-5-16(14)17-6-8-23(2)22(21(13)17)18-12-19(18)24(23)9-7-20(26)27-24;1-12-9-13-10-14(24)3-4-15(13)16-5-7-22(2)21(20(12)16)17-11-18(17)23(22)8-6-19(25)26-23;1-21-8-6-15-14-5-3-13(23)10-12(14)2-4-16(15)20(21)17-11-18(17)22(21)9-7-19(24)25-22/h10,13,16-20,22-23H,2-9,11-12H2,1H3;11,13,16-19,21-22H,3-10,12H2,1-2H3;3,11,13,16-19,21-22H,1,4-10,12H2,2H3;10,12,15-18,20-21H,3-9,11H2,1-2H3;10,14-18,20H,2-9,11H2,1H3/t16-,17?,18?,19?,20?,22?,23?,24-,25-;2*13?,16-,17?,18?,19?,21?,22?,23-,24-;12?,15-,16?,17?,18?,20?,21?,22-,23-;14-,15?,16?,17?,18?,20?,21-,22-/m00000/s1.

What are the key properties of (5S,7'S,11'R)-18'-cyclopropyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-7',18'-dimethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-18'-ethenyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-18'-ethyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione?

(5S,7'S,11'R)-18'-cyclopropyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-7',18'-dimethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-18'-ethenyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-18'-ethyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione has a molecular weight of 1810.50 g/mol, XLogP of 22.23, 3 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (5S,7'S,11'R)-18'-cyclopropyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-7',18'-dimethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-18'-ethenyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-18'-ethyl-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione;(5S,7'S,11'R)-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione is sourced from PubChem (CID 160845376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).