(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,10R,10aS,11S,11aS,11bR)-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,10,10a,11,11a-dodecahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3,11-diol

C27H43NO3 — CID 91871144

About (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,10R,10aS,11S,11aS,11bR)-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,10,10a,11,11a-dodecahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3,11-diol

(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,10R,10aS,11S,11aS,11bR)-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,10,10a,11,11a-dodecahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3,11-diol (PubChem CID 91871144) has the molecular formula C27H43NO3 and a molecular weight of 429.65 g/mol. Its IUPAC name is (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,10R,10aS,11S,11aS,11bR)-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,10,10a,11,11a-dodecahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3,11-diol.

Molecular Properties

• Compound Name: (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,10R,10aS,11S,11aS,11bR)-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,10,10a,11,11a-dodecahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3,11-diol
• PubChem CID: 91871144
• Molecular Formula: C27H43NO3
• Molecular Weight: 429.65 g/mol
• Exact Mass: 429.32
• IUPAC Name: (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,10R,10aS,11S,11aS,11bR)-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,10,10a,11,11a-dodecahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3,11-diol
• SMILES: C[C@@H]1CN[C@H]2[C@@H](C)[C@@]3(CC[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5[C@@H](O)[C@@H]4[C@H]3C)O[C@@H]2C1
• InChI: InChI=1S/C27H43NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14-16,18-25,28-30H,6-13H2,1-4H3/t14-,15+,16+,18-,19-,20-,21+,22+,23+,24-,25-,26-,27-/m0/s1
• InChIKey: SVAVMAWBMZEVEB-OJLJMFSGSA-N
• XLogP: 3.91
• TPSA: 61.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.65
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	3
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 (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,10R,10aS,11S,11aS,11bR)-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,10,10a,11,11a-dodecahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3,11-diol?

The IUPAC name of (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,10R,10aS,11S,11aS,11bR)-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,10,10a,11,11a-dodecahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3,11-diol (CID 91871144) is (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,10R,10aS,11S,11aS,11bR)-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,10,10a,11,11a-dodecahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3,11-diol.

What is the SMILES notation for (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,10R,10aS,11S,11aS,11bR)-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,10,10a,11,11a-dodecahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3,11-diol?

The canonical SMILES for (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,10R,10aS,11S,11aS,11bR)-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,10,10a,11,11a-dodecahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3,11-diol is C[C@@H]1CN[C@H]2[C@@H](C)[C@@]3(CC[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5[C@@H](O)[C@@H]4[C@H]3C)O[C@@H]2C1.

What is the InChIKey of (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,10R,10aS,11S,11aS,11bR)-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,10,10a,11,11a-dodecahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3,11-diol?

The InChIKey is SVAVMAWBMZEVEB-OJLJMFSGSA-N. The full InChI is InChI=1S/C27H43NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14-16,18-25,28-30H,6-13H2,1-4H3/t14-,15+,16+,18-,19-,20-,21+,22+,23+,24-,25-,26-,27-/m0/s1.

What are the key properties of (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,10R,10aS,11S,11aS,11bR)-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,10,10a,11,11a-dodecahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3,11-diol?

(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,10R,10aS,11S,11aS,11bR)-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,10,10a,11,11a-dodecahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3,11-diol has a molecular weight of 429.65 g/mol, XLogP of 3.91, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,10R,10aS,11S,11aS,11bR)-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,10,10a,11,11a-dodecahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3,11-diol is sourced from PubChem (CID 91871144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).