(6Z,8R)-6-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-7-methylidene-2-oxaspiro[3.5]nonan-8-ol

C30H48O3 — CID 102128946

About (6Z,8R)-6-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-7-methylidene-2-oxaspiro[3.5]nonan-8-ol

(6Z,8R)-6-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-7-methylidene-2-oxaspiro[3.5]nonan-8-ol (PubChem CID 102128946) has the molecular formula C30H48O3 and a molecular weight of 456.71 g/mol. Its IUPAC name is (6Z,8R)-6-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-7-methylidene-2-oxaspiro[3.5]nonan-8-ol.

Molecular Properties

• Compound Name: (6Z,8R)-6-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-7-methylidene-2-oxaspiro[3.5]nonan-8-ol
• PubChem CID: 102128946
• Molecular Formula: C30H48O3
• Molecular Weight: 456.71 g/mol
• Exact Mass: 456.36
• IUPAC Name: (6Z,8R)-6-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-7-methylidene-2-oxaspiro[3.5]nonan-8-ol
• SMILES: C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CC[C@H](C)C(C)(C)O)CC[C@@H]23)CC2(COC2)C[C@H]1O
• InChI: InChI=1S/C30H48O3/c1-20(9-10-21(2)28(4,5)32)25-13-14-26-23(8-7-15-29(25,26)6)11-12-24-16-30(18-33-19-30)17-27(31)22(24)3/h11-12,20-21,25-27,31-32H,3,7-10,13-19H2,1-2,4-6H3/b23-11+,24-12-/t20-,21+,25-,26+,27-,29-/m1/s1
• InChIKey: PGBYWYBNOLAOLR-DJRZYTFMSA-N
• XLogP: 6.61
• TPSA: 49.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.71
LogP ≤ 5	6.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (6Z,8R)-6-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-7-methylidene-2-oxaspiro[3.5]nonan-8-ol?

The IUPAC name of (6Z,8R)-6-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-7-methylidene-2-oxaspiro[3.5]nonan-8-ol (CID 102128946) is (6Z,8R)-6-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-7-methylidene-2-oxaspiro[3.5]nonan-8-ol.

What is the SMILES notation for (6Z,8R)-6-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-7-methylidene-2-oxaspiro[3.5]nonan-8-ol?

The canonical SMILES for (6Z,8R)-6-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-7-methylidene-2-oxaspiro[3.5]nonan-8-ol is C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CC[C@H](C)C(C)(C)O)CC[C@@H]23)CC2(COC2)C[C@H]1O.

What is the InChIKey of (6Z,8R)-6-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-7-methylidene-2-oxaspiro[3.5]nonan-8-ol?

The InChIKey is PGBYWYBNOLAOLR-DJRZYTFMSA-N. The full InChI is InChI=1S/C30H48O3/c1-20(9-10-21(2)28(4,5)32)25-13-14-26-23(8-7-15-29(25,26)6)11-12-24-16-30(18-33-19-30)17-27(31)22(24)3/h11-12,20-21,25-27,31-32H,3,7-10,13-19H2,1-2,4-6H3/b23-11+,24-12-/t20-,21+,25-,26+,27-,29-/m1/s1.

What are the key properties of (6Z,8R)-6-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-7-methylidene-2-oxaspiro[3.5]nonan-8-ol?

(6Z,8R)-6-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-7-methylidene-2-oxaspiro[3.5]nonan-8-ol has a molecular weight of 456.71 g/mol, XLogP of 6.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (6Z,8R)-6-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-7-methylidene-2-oxaspiro[3.5]nonan-8-ol is sourced from PubChem (CID 102128946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).