(3R,3'R,3'aS,4aR,6bS,7'aR,9S,12aS,12bS)-3',11,12b-trimethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-ol

C27H43NO2 — CID 71080969

About (3R,3'R,3'aS,4aR,6bS,7'aR,9S,12aS,12bS)-3',11,12b-trimethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-ol

(3R,3'R,3'aS,4aR,6bS,7'aR,9S,12aS,12bS)-3',11,12b-trimethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-ol (PubChem CID 71080969) has the molecular formula C27H43NO2 and a molecular weight of 413.65 g/mol. Its IUPAC name is (3R,3'R,3'aS,4aR,6bS,7'aR,9S,12aS,12bS)-3',11,12b-trimethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-ol.

Molecular Properties

• Compound Name: (3R,3'R,3'aS,4aR,6bS,7'aR,9S,12aS,12bS)-3',11,12b-trimethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-ol
• PubChem CID: 71080969
• Molecular Formula: C27H43NO2
• Molecular Weight: 413.65 g/mol
• Exact Mass: 413.33
• IUPAC Name: (3R,3'R,3'aS,4aR,6bS,7'aR,9S,12aS,12bS)-3',11,12b-trimethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-ol
• SMILES: CC1=C2C[C@H]3C(CC[C@@H]4C[C@H](O)CC[C@@]43C)[C@@H]2CC[C@@]2(C1)O[C@@H]1CCCN[C@H]1[C@H]2C
• InChI: InChI=1S/C27H43NO2/c1-16-15-27(17(2)25-24(30-27)5-4-12-28-25)11-9-20-21-7-6-18-13-19(29)8-10-26(18,3)23(21)14-22(16)20/h17-21,23-25,28-29H,4-15H2,1-3H3/t17-,18-,19-,20+,21?,23+,24-,25+,26+,27+/m1/s1
• InChIKey: WOVTVBCOMGEABJ-CUOIGMCLSA-N
• XLogP: 5.23
• TPSA: 41.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	413.65
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R,3'R,3'aS,4aR,6bS,7'aR,9S,12aS,12bS)-3',11,12b-trimethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-ol?

The IUPAC name of (3R,3'R,3'aS,4aR,6bS,7'aR,9S,12aS,12bS)-3',11,12b-trimethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-ol (CID 71080969) is (3R,3'R,3'aS,4aR,6bS,7'aR,9S,12aS,12bS)-3',11,12b-trimethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-ol.

What is the SMILES notation for (3R,3'R,3'aS,4aR,6bS,7'aR,9S,12aS,12bS)-3',11,12b-trimethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-ol?

The canonical SMILES for (3R,3'R,3'aS,4aR,6bS,7'aR,9S,12aS,12bS)-3',11,12b-trimethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-ol is CC1=C2C[C@H]3C(CC[C@@H]4C[C@H](O)CC[C@@]43C)[C@@H]2CC[C@@]2(C1)O[C@@H]1CCCN[C@H]1[C@H]2C.

What is the InChIKey of (3R,3'R,3'aS,4aR,6bS,7'aR,9S,12aS,12bS)-3',11,12b-trimethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-ol?

The InChIKey is WOVTVBCOMGEABJ-CUOIGMCLSA-N. The full InChI is InChI=1S/C27H43NO2/c1-16-15-27(17(2)25-24(30-27)5-4-12-28-25)11-9-20-21-7-6-18-13-19(29)8-10-26(18,3)23(21)14-22(16)20/h17-21,23-25,28-29H,4-15H2,1-3H3/t17-,18-,19-,20+,21?,23+,24-,25+,26+,27+/m1/s1.

What are the key properties of (3R,3'R,3'aS,4aR,6bS,7'aR,9S,12aS,12bS)-3',11,12b-trimethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-ol?

(3R,3'R,3'aS,4aR,6bS,7'aR,9S,12aS,12bS)-3',11,12b-trimethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-ol has a molecular weight of 413.65 g/mol, XLogP of 5.23, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,3'R,3'aS,4aR,6bS,7'aR,9S,12aS,12bS)-3',11,12b-trimethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-ol is sourced from PubChem (CID 71080969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).