(4aS,4bS,7S,8S,8aS,10aR)-4b,8,10a-trimethyl-7-tri(propan-2-yl)silyloxy-1,2,4,4a,5,6,7,8,8a,9-decahydrophenanthrene-3,10-dione

C26H46O3Si — CID 102130933

About (4aS,4bS,7S,8S,8aS,10aR)-4b,8,10a-trimethyl-7-tri(propan-2-yl)silyloxy-1,2,4,4a,5,6,7,8,8a,9-decahydrophenanthrene-3,10-dione

(4aS,4bS,7S,8S,8aS,10aR)-4b,8,10a-trimethyl-7-tri(propan-2-yl)silyloxy-1,2,4,4a,5,6,7,8,8a,9-decahydrophenanthrene-3,10-dione (PubChem CID 102130933) has the molecular formula C26H46O3Si and a molecular weight of 434.74 g/mol. Its IUPAC name is (4aS,4bS,7S,8S,8aS,10aR)-4b,8,10a-trimethyl-7-tri(propan-2-yl)silyloxy-1,2,4,4a,5,6,7,8,8a,9-decahydrophenanthrene-3,10-dione.

Molecular Properties

• Compound Name: (4aS,4bS,7S,8S,8aS,10aR)-4b,8,10a-trimethyl-7-tri(propan-2-yl)silyloxy-1,2,4,4a,5,6,7,8,8a,9-decahydrophenanthrene-3,10-dione
• PubChem CID: 102130933
• Molecular Formula: C26H46O3Si
• Molecular Weight: 434.74 g/mol
• Exact Mass: 434.32
• IUPAC Name: (4aS,4bS,7S,8S,8aS,10aR)-4b,8,10a-trimethyl-7-tri(propan-2-yl)silyloxy-1,2,4,4a,5,6,7,8,8a,9-decahydrophenanthrene-3,10-dione
• SMILES: CC(C)[Si](O[C@H]1CC[C@@]2(C)[C@@H](CC(=O)[C@]3(C)CCC(=O)C[C@@H]23)[C@@H]1C)(C(C)C)C(C)C
• InChI: InChI=1S/C26H46O3Si/c1-16(2)30(17(3)4,18(5)6)29-22-11-13-25(8)21(19(22)7)15-24(28)26(9)12-10-20(27)14-23(25)26/h16-19,21-23H,10-15H2,1-9H3/t19-,21-,22-,23-,25-,26+/m0/s1
• InChIKey: FMIKSLCYJMXQPG-JNPMTXRSSA-N
• XLogP: 6.95
• TPSA: 43.37 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.74
LogP ≤ 5	6.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4aS,4bS,7S,8S,8aS,10aR)-4b,8,10a-trimethyl-7-tri(propan-2-yl)silyloxy-1,2,4,4a,5,6,7,8,8a,9-decahydrophenanthrene-3,10-dione?

The IUPAC name of (4aS,4bS,7S,8S,8aS,10aR)-4b,8,10a-trimethyl-7-tri(propan-2-yl)silyloxy-1,2,4,4a,5,6,7,8,8a,9-decahydrophenanthrene-3,10-dione (CID 102130933) is (4aS,4bS,7S,8S,8aS,10aR)-4b,8,10a-trimethyl-7-tri(propan-2-yl)silyloxy-1,2,4,4a,5,6,7,8,8a,9-decahydrophenanthrene-3,10-dione.

What is the SMILES notation for (4aS,4bS,7S,8S,8aS,10aR)-4b,8,10a-trimethyl-7-tri(propan-2-yl)silyloxy-1,2,4,4a,5,6,7,8,8a,9-decahydrophenanthrene-3,10-dione?

The canonical SMILES for (4aS,4bS,7S,8S,8aS,10aR)-4b,8,10a-trimethyl-7-tri(propan-2-yl)silyloxy-1,2,4,4a,5,6,7,8,8a,9-decahydrophenanthrene-3,10-dione is CC(C)[Si](O[C@H]1CC[C@@]2(C)[C@@H](CC(=O)[C@]3(C)CCC(=O)C[C@@H]23)[C@@H]1C)(C(C)C)C(C)C.

What is the InChIKey of (4aS,4bS,7S,8S,8aS,10aR)-4b,8,10a-trimethyl-7-tri(propan-2-yl)silyloxy-1,2,4,4a,5,6,7,8,8a,9-decahydrophenanthrene-3,10-dione?

The InChIKey is FMIKSLCYJMXQPG-JNPMTXRSSA-N. The full InChI is InChI=1S/C26H46O3Si/c1-16(2)30(17(3)4,18(5)6)29-22-11-13-25(8)21(19(22)7)15-24(28)26(9)12-10-20(27)14-23(25)26/h16-19,21-23H,10-15H2,1-9H3/t19-,21-,22-,23-,25-,26+/m0/s1.

What are the key properties of (4aS,4bS,7S,8S,8aS,10aR)-4b,8,10a-trimethyl-7-tri(propan-2-yl)silyloxy-1,2,4,4a,5,6,7,8,8a,9-decahydrophenanthrene-3,10-dione?

(4aS,4bS,7S,8S,8aS,10aR)-4b,8,10a-trimethyl-7-tri(propan-2-yl)silyloxy-1,2,4,4a,5,6,7,8,8a,9-decahydrophenanthrene-3,10-dione has a molecular weight of 434.74 g/mol, XLogP of 6.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4aS,4bS,7S,8S,8aS,10aR)-4b,8,10a-trimethyl-7-tri(propan-2-yl)silyloxy-1,2,4,4a,5,6,7,8,8a,9-decahydrophenanthrene-3,10-dione is sourced from PubChem (CID 102130933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).