[(5R,6Z,8S)-6-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-8-yl] acetate

C32H49NO3 — CID 23240546

About [(5R,6Z,8S)-6-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-8-yl] acetate

[(5R,6Z,8S)-6-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-8-yl] acetate (PubChem CID 23240546) has the molecular formula C32H49NO3 and a molecular weight of 495.75 g/mol. Its IUPAC name is [(5R,6Z,8S)-6-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-8-yl] acetate.

Molecular Properties

• Compound Name: [(5R,6Z,8S)-6-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-8-yl] acetate
• PubChem CID: 23240546
• Molecular Formula: C32H49NO3
• Molecular Weight: 495.75 g/mol
• Exact Mass: 495.37
• IUPAC Name: [(5R,6Z,8S)-6-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-8-yl] acetate
• SMILES: CC(=O)O[C@H]1CC[C@@]2(CC(C)=NO2)/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]23)C1
• InChI: InChI=1S/C32H49NO3/c1-21(2)22(3)10-11-23(4)29-14-15-30-26(9-8-17-31(29,30)7)12-13-27-19-28(35-25(6)34)16-18-32(27)20-24(5)33-36-32/h10-13,21-23,28-30H,8-9,14-20H2,1-7H3/b11-10+,26-12+,27-13-/t22-,23+,28-,29+,30-,31+,32+/m0/s1
• InChIKey: BVSZFUFFMWAAQU-HYSCWOCVSA-N
• XLogP: 8.19
• TPSA: 47.89 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.75
LogP ≤ 5	8.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(5R,6Z,8S)-6-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-8-yl] acetate?

The IUPAC name of [(5R,6Z,8S)-6-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-8-yl] acetate (CID 23240546) is [(5R,6Z,8S)-6-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-8-yl] acetate.

What is the SMILES notation for [(5R,6Z,8S)-6-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-8-yl] acetate?

The canonical SMILES for [(5R,6Z,8S)-6-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-8-yl] acetate is CC(=O)O[C@H]1CC[C@@]2(CC(C)=NO2)/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]23)C1.

What is the InChIKey of [(5R,6Z,8S)-6-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-8-yl] acetate?

The InChIKey is BVSZFUFFMWAAQU-HYSCWOCVSA-N. The full InChI is InChI=1S/C32H49NO3/c1-21(2)22(3)10-11-23(4)29-14-15-30-26(9-8-17-31(29,30)7)12-13-27-19-28(35-25(6)34)16-18-32(27)20-24(5)33-36-32/h10-13,21-23,28-30H,8-9,14-20H2,1-7H3/b11-10+,26-12+,27-13-/t22-,23+,28-,29+,30-,31+,32+/m0/s1.

What are the key properties of [(5R,6Z,8S)-6-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-8-yl] acetate?

[(5R,6Z,8S)-6-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-8-yl] acetate has a molecular weight of 495.75 g/mol, XLogP of 8.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(5R,6Z,8S)-6-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-3-methyl-1-oxa-2-azaspiro[4.5]dec-2-en-8-yl] acetate is sourced from PubChem (CID 23240546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).