(5S,7'S)-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)-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-15,17-diene]-2,14'-dione

C46H58O6 — CID 160674502

About (5S,7'S)-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)-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-15,17-diene]-2,14'-dione

(5S,7'S)-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)-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-15,17-diene]-2,14'-dione (PubChem CID 160674502) has the molecular formula C46H58O6 and a molecular weight of 706.96 g/mol. Its IUPAC name is (5S,7'S)-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)-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-15,17-diene]-2,14'-dione.

Molecular Properties

• Compound Name: (5S,7'S)-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)-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-15,17-diene]-2,14'-dione
• PubChem CID: 160674502
• Molecular Formula: C46H58O6
• Molecular Weight: 706.96 g/mol
• Exact Mass: 706.42
• IUPAC Name: (5S,7'S)-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)-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-15,17-diene]-2,14'-dione
• SMILES: CCC1CC2=CC(=O)CCC2C2CC[C@@]3(C)C(C4CC4[C@@]34CCC(=O)O4)C12.C[C@]12CCC3C4CCC(=O)C=C4C=CC3C1C1CC1[C@@]21CCC(=O)O1
• InChI: InChI=1S/C24H32O3.C22H26O3/c1-3-13-10-14-11-15(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;1-21-8-6-15-14-5-3-13(23)10-12(14)2-4-16(15)20(21)17-11-18(17)22(21)9-7-19(24)25-22/h11,13,16-19,21-22H,3-10,12H2,1-2H3;2,4,10,14-18,20H,3,5-9,11H2,1H3/t13?,16?,17?,18?,19?,21?,22?,23-,24-;14?,15?,16?,17?,18?,20?,21-,22-/m00/s1
• InChIKey: RNJALYWLQRZLDT-CGFDUODUSA-N
• XLogP: 8.53
• TPSA: 86.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 1
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	706.96
LogP ≤ 5	8.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5S,7'S)-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)-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-15,17-diene]-2,14'-dione?

The IUPAC name of (5S,7'S)-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)-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-15,17-diene]-2,14'-dione (CID 160674502) is (5S,7'S)-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)-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-15,17-diene]-2,14'-dione.

What is the SMILES notation for (5S,7'S)-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)-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-15,17-diene]-2,14'-dione?

The canonical SMILES for (5S,7'S)-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)-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-15,17-diene]-2,14'-dione is CCC1CC2=CC(=O)CCC2C2CC[C@@]3(C)C(C4CC4[C@@]34CCC(=O)O4)C12.C[C@]12CCC3C4CCC(=O)C=C4C=CC3C1C1CC1[C@@]21CCC(=O)O1.

What is the InChIKey of (5S,7'S)-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)-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-15,17-diene]-2,14'-dione?

The InChIKey is RNJALYWLQRZLDT-CGFDUODUSA-N. The full InChI is InChI=1S/C24H32O3.C22H26O3/c1-3-13-10-14-11-15(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;1-21-8-6-15-14-5-3-13(23)10-12(14)2-4-16(15)20(21)17-11-18(17)22(21)9-7-19(24)25-22/h11,13,16-19,21-22H,3-10,12H2,1-2H3;2,4,10,14-18,20H,3,5-9,11H2,1H3/t13?,16?,17?,18?,19?,21?,22?,23-,24-;14?,15?,16?,17?,18?,20?,21-,22-/m00/s1.

What are the key properties of (5S,7'S)-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)-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-15,17-diene]-2,14'-dione?

(5S,7'S)-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)-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-15,17-diene]-2,14'-dione has a molecular weight of 706.96 g/mol, XLogP of 8.53, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5S,7'S)-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)-7'-methylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-15,17-diene]-2,14'-dione is sourced from PubChem (CID 160674502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).