(1S,2S,4S,6'R,9R,11S)-9-methoxy-2',2',13,13-tetramethyl-6',11-bis(3-methylbut-2-enyl)spiro[3,5,12-trioxatetracyclo[7.4.1.02,7.02,11]tetradec-7-ene-4,7'-6H-chromene]-5',6,8',10-tetrone

C34H40O9 — CID 11353822

About (1S,2S,4S,6'R,9R,11S)-9-methoxy-2',2',13,13-tetramethyl-6',11-bis(3-methylbut-2-enyl)spiro[3,5,12-trioxatetracyclo[7.4.1.02,7.02,11]tetradec-7-ene-4,7'-6H-chromene]-5',6,8',10-tetrone

(1S,2S,4S,6'R,9R,11S)-9-methoxy-2',2',13,13-tetramethyl-6',11-bis(3-methylbut-2-enyl)spiro[3,5,12-trioxatetracyclo[7.4.1.02,7.02,11]tetradec-7-ene-4,7'-6H-chromene]-5',6,8',10-tetrone (PubChem CID 11353822) has the molecular formula C34H40O9 and a molecular weight of 592.69 g/mol. Its IUPAC name is (1S,2S,4S,6'R,9R,11S)-9-methoxy-2',2',13,13-tetramethyl-6',11-bis(3-methylbut-2-enyl)spiro[3,5,12-trioxatetracyclo[7.4.1.02,7.02,11]tetradec-7-ene-4,7'-6H-chromene]-5',6,8',10-tetrone.

Molecular Properties

• Compound Name: (1S,2S,4S,6'R,9R,11S)-9-methoxy-2',2',13,13-tetramethyl-6',11-bis(3-methylbut-2-enyl)spiro[3,5,12-trioxatetracyclo[7.4.1.02,7.02,11]tetradec-7-ene-4,7'-6H-chromene]-5',6,8',10-tetrone
• PubChem CID: 11353822
• Molecular Formula: C34H40O9
• Molecular Weight: 592.69 g/mol
• Exact Mass: 592.27
• IUPAC Name: (1S,2S,4S,6'R,9R,11S)-9-methoxy-2',2',13,13-tetramethyl-6',11-bis(3-methylbut-2-enyl)spiro[3,5,12-trioxatetracyclo[7.4.1.02,7.02,11]tetradec-7-ene-4,7'-6H-chromene]-5',6,8',10-tetrone
• SMILES: CO[C@@]12C=C3C(=O)O[C@]4(O[C@@]35[C@@H](C1)C(C)(C)O[C@]5(CC=C(C)C)C2=O)C(=O)C1=C(C=CC(C)(C)O1)C(=O)[C@H]4CC=C(C)C
• InChI: InChI=1S/C34H40O9/c1-18(2)10-11-21-24(35)20-13-14-29(5,6)40-25(20)26(36)34(21)41-27(37)22-16-31(39-9)17-23-30(7,8)42-32(28(31)38,15-12-19(3)4)33(22,23)43-34/h10,12-14,16,21,23H,11,15,17H2,1-9H3/t21-,23+,31+,32-,33-,34-/m1/s1
• InChIKey: HPXYRFJVBIOJKL-YDPZXRSCSA-N
• XLogP: 4.56
• TPSA: 114.43 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	592.69
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S,6'R,9R,11S)-9-methoxy-2',2',13,13-tetramethyl-6',11-bis(3-methylbut-2-enyl)spiro[3,5,12-trioxatetracyclo[7.4.1.02,7.02,11]tetradec-7-ene-4,7'-6H-chromene]-5',6,8',10-tetrone?

The IUPAC name of (1S,2S,4S,6'R,9R,11S)-9-methoxy-2',2',13,13-tetramethyl-6',11-bis(3-methylbut-2-enyl)spiro[3,5,12-trioxatetracyclo[7.4.1.02,7.02,11]tetradec-7-ene-4,7'-6H-chromene]-5',6,8',10-tetrone (CID 11353822) is (1S,2S,4S,6'R,9R,11S)-9-methoxy-2',2',13,13-tetramethyl-6',11-bis(3-methylbut-2-enyl)spiro[3,5,12-trioxatetracyclo[7.4.1.02,7.02,11]tetradec-7-ene-4,7'-6H-chromene]-5',6,8',10-tetrone.

What is the SMILES notation for (1S,2S,4S,6'R,9R,11S)-9-methoxy-2',2',13,13-tetramethyl-6',11-bis(3-methylbut-2-enyl)spiro[3,5,12-trioxatetracyclo[7.4.1.02,7.02,11]tetradec-7-ene-4,7'-6H-chromene]-5',6,8',10-tetrone?

The canonical SMILES for (1S,2S,4S,6'R,9R,11S)-9-methoxy-2',2',13,13-tetramethyl-6',11-bis(3-methylbut-2-enyl)spiro[3,5,12-trioxatetracyclo[7.4.1.02,7.02,11]tetradec-7-ene-4,7'-6H-chromene]-5',6,8',10-tetrone is CO[C@@]12C=C3C(=O)O[C@]4(O[C@@]35[C@@H](C1)C(C)(C)O[C@]5(CC=C(C)C)C2=O)C(=O)C1=C(C=CC(C)(C)O1)C(=O)[C@H]4CC=C(C)C.

What is the InChIKey of (1S,2S,4S,6'R,9R,11S)-9-methoxy-2',2',13,13-tetramethyl-6',11-bis(3-methylbut-2-enyl)spiro[3,5,12-trioxatetracyclo[7.4.1.02,7.02,11]tetradec-7-ene-4,7'-6H-chromene]-5',6,8',10-tetrone?

The InChIKey is HPXYRFJVBIOJKL-YDPZXRSCSA-N. The full InChI is InChI=1S/C34H40O9/c1-18(2)10-11-21-24(35)20-13-14-29(5,6)40-25(20)26(36)34(21)41-27(37)22-16-31(39-9)17-23-30(7,8)42-32(28(31)38,15-12-19(3)4)33(22,23)43-34/h10,12-14,16,21,23H,11,15,17H2,1-9H3/t21-,23+,31+,32-,33-,34-/m1/s1.

What are the key properties of (1S,2S,4S,6'R,9R,11S)-9-methoxy-2',2',13,13-tetramethyl-6',11-bis(3-methylbut-2-enyl)spiro[3,5,12-trioxatetracyclo[7.4.1.02,7.02,11]tetradec-7-ene-4,7'-6H-chromene]-5',6,8',10-tetrone?

(1S,2S,4S,6'R,9R,11S)-9-methoxy-2',2',13,13-tetramethyl-6',11-bis(3-methylbut-2-enyl)spiro[3,5,12-trioxatetracyclo[7.4.1.02,7.02,11]tetradec-7-ene-4,7'-6H-chromene]-5',6,8',10-tetrone has a molecular weight of 592.69 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,2S,4S,6'R,9R,11S)-9-methoxy-2',2',13,13-tetramethyl-6',11-bis(3-methylbut-2-enyl)spiro[3,5,12-trioxatetracyclo[7.4.1.02,7.02,11]tetradec-7-ene-4,7'-6H-chromene]-5',6,8',10-tetrone is sourced from PubChem (CID 11353822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).