(6R,10S,12E,15S)-21-methoxy-19-(methoxymethoxy)-8,8,15-trimethyl-7,9-dioxatetracyclo[16.4.0.02,4.06,10]docosa-1(18),12,19,21-tetraene-11,17-dione

C26H34O7 — CID 58750389

About (6R,10S,12E,15S)-21-methoxy-19-(methoxymethoxy)-8,8,15-trimethyl-7,9-dioxatetracyclo[16.4.0.02,4.06,10]docosa-1(18),12,19,21-tetraene-11,17-dione

(6R,10S,12E,15S)-21-methoxy-19-(methoxymethoxy)-8,8,15-trimethyl-7,9-dioxatetracyclo[16.4.0.02,4.06,10]docosa-1(18),12,19,21-tetraene-11,17-dione (PubChem CID 58750389) has the molecular formula C26H34O7 and a molecular weight of 458.55 g/mol. Its IUPAC name is (6R,10S,12E,15S)-21-methoxy-19-(methoxymethoxy)-8,8,15-trimethyl-7,9-dioxatetracyclo[16.4.0.02,4.06,10]docosa-1(18),12,19,21-tetraene-11,17-dione.

Molecular Properties

• Compound Name: (6R,10S,12E,15S)-21-methoxy-19-(methoxymethoxy)-8,8,15-trimethyl-7,9-dioxatetracyclo[16.4.0.02,4.06,10]docosa-1(18),12,19,21-tetraene-11,17-dione
• PubChem CID: 58750389
• Molecular Formula: C26H34O7
• Molecular Weight: 458.55 g/mol
• Exact Mass: 458.23
• IUPAC Name: (6R,10S,12E,15S)-21-methoxy-19-(methoxymethoxy)-8,8,15-trimethyl-7,9-dioxatetracyclo[16.4.0.02,4.06,10]docosa-1(18),12,19,21-tetraene-11,17-dione
• SMILES: COCOc1cc(OC)cc2c1C(=O)C[C@@H](C)C/C=C/C(=O)[C@H]1OC(C)(C)O[C@@H]1CC1CC21
• InChI: InChI=1S/C26H34O7/c1-15-7-6-8-20(27)25-23(32-26(2,3)33-25)11-16-10-18(16)19-12-17(30-5)13-22(31-14-29-4)24(19)21(28)9-15/h6,8,12-13,15-16,18,23,25H,7,9-11,14H2,1-5H3/b8-6+/t15-,16?,18?,23+,25+/m0/s1
• InChIKey: UOTYAUOAFKIFBT-IKPKBZRRSA-N
• XLogP: 4.43
• TPSA: 80.29 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.55
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6R,10S,12E,15S)-21-methoxy-19-(methoxymethoxy)-8,8,15-trimethyl-7,9-dioxatetracyclo[16.4.0.02,4.06,10]docosa-1(18),12,19,21-tetraene-11,17-dione?

The IUPAC name of (6R,10S,12E,15S)-21-methoxy-19-(methoxymethoxy)-8,8,15-trimethyl-7,9-dioxatetracyclo[16.4.0.02,4.06,10]docosa-1(18),12,19,21-tetraene-11,17-dione (CID 58750389) is (6R,10S,12E,15S)-21-methoxy-19-(methoxymethoxy)-8,8,15-trimethyl-7,9-dioxatetracyclo[16.4.0.02,4.06,10]docosa-1(18),12,19,21-tetraene-11,17-dione.

What is the SMILES notation for (6R,10S,12E,15S)-21-methoxy-19-(methoxymethoxy)-8,8,15-trimethyl-7,9-dioxatetracyclo[16.4.0.02,4.06,10]docosa-1(18),12,19,21-tetraene-11,17-dione?

The canonical SMILES for (6R,10S,12E,15S)-21-methoxy-19-(methoxymethoxy)-8,8,15-trimethyl-7,9-dioxatetracyclo[16.4.0.02,4.06,10]docosa-1(18),12,19,21-tetraene-11,17-dione is COCOc1cc(OC)cc2c1C(=O)C[C@@H](C)C/C=C/C(=O)[C@H]1OC(C)(C)O[C@@H]1CC1CC21.

What is the InChIKey of (6R,10S,12E,15S)-21-methoxy-19-(methoxymethoxy)-8,8,15-trimethyl-7,9-dioxatetracyclo[16.4.0.02,4.06,10]docosa-1(18),12,19,21-tetraene-11,17-dione?

The InChIKey is UOTYAUOAFKIFBT-IKPKBZRRSA-N. The full InChI is InChI=1S/C26H34O7/c1-15-7-6-8-20(27)25-23(32-26(2,3)33-25)11-16-10-18(16)19-12-17(30-5)13-22(31-14-29-4)24(19)21(28)9-15/h6,8,12-13,15-16,18,23,25H,7,9-11,14H2,1-5H3/b8-6+/t15-,16?,18?,23+,25+/m0/s1.

What are the key properties of (6R,10S,12E,15S)-21-methoxy-19-(methoxymethoxy)-8,8,15-trimethyl-7,9-dioxatetracyclo[16.4.0.02,4.06,10]docosa-1(18),12,19,21-tetraene-11,17-dione?

(6R,10S,12E,15S)-21-methoxy-19-(methoxymethoxy)-8,8,15-trimethyl-7,9-dioxatetracyclo[16.4.0.02,4.06,10]docosa-1(18),12,19,21-tetraene-11,17-dione has a molecular weight of 458.55 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (6R,10S,12E,15S)-21-methoxy-19-(methoxymethoxy)-8,8,15-trimethyl-7,9-dioxatetracyclo[16.4.0.02,4.06,10]docosa-1(18),12,19,21-tetraene-11,17-dione is sourced from PubChem (CID 58750389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).