(3R,3'R,3'aS,4aR,6'S,6aR,6bS,9S,12aS,12bS)-3-(1,2-dihydrotriazol-3-yl)-3',6',11,12b-tetramethylspiro[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]

C30H48N4O — CID 143718487

About (3R,3'R,3'aS,4aR,6'S,6aR,6bS,9S,12aS,12bS)-3-(1,2-dihydrotriazol-3-yl)-3',6',11,12b-tetramethylspiro[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]

(3R,3'R,3'aS,4aR,6'S,6aR,6bS,9S,12aS,12bS)-3-(1,2-dihydrotriazol-3-yl)-3',6',11,12b-tetramethylspiro[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] (PubChem CID 143718487) has the molecular formula C30H48N4O and a molecular weight of 480.74 g/mol. Its IUPAC name is (3R,3'R,3'aS,4aR,6'S,6aR,6bS,9S,12aS,12bS)-3-(1,2-dihydrotriazol-3-yl)-3',6',11,12b-tetramethylspiro[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].

Molecular Properties

• Compound Name: (3R,3'R,3'aS,4aR,6'S,6aR,6bS,9S,12aS,12bS)-3-(1,2-dihydrotriazol-3-yl)-3',6',11,12b-tetramethylspiro[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]
• PubChem CID: 143718487
• Molecular Formula: C30H48N4O
• Molecular Weight: 480.74 g/mol
• Exact Mass: 480.38
• IUPAC Name: (3R,3'R,3'aS,4aR,6'S,6aR,6bS,9S,12aS,12bS)-3-(1,2-dihydrotriazol-3-yl)-3',6',11,12b-tetramethylspiro[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]
• SMILES: CC1=C2C[C@H]3[C@@H](CC[C@@H]4C[C@H](N5C=CNN5)CC[C@@]43C)[C@@H]2CC[C@@]2(C1)OC1C[C@H](C)CN[C@H]1[C@H]2C
• InChI: InChI=1S/C30H48N4O/c1-18-13-27-28(31-17-18)20(3)30(35-27)10-8-23-24-6-5-21-14-22(34-12-11-32-33-34)7-9-29(21,4)26(24)15-25(23)19(2)16-30/h11-12,18,20-24,26-28,31-33H,5-10,13-17H2,1-4H3/t18-,20+,21+,22+,23-,24-,26-,27?,28-,29-,30-/m0/s1
• InChIKey: PLACAIPTFUFRHF-XWOOJQGZSA-N
• XLogP: 5.28
• TPSA: 48.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.74
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

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,6'S,6aR,6bS,9S,12aS,12bS)-3-(1,2-dihydrotriazol-3-yl)-3',6',11,12b-tetramethylspiro[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]?

The IUPAC name of (3R,3'R,3'aS,4aR,6'S,6aR,6bS,9S,12aS,12bS)-3-(1,2-dihydrotriazol-3-yl)-3',6',11,12b-tetramethylspiro[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] (CID 143718487) is (3R,3'R,3'aS,4aR,6'S,6aR,6bS,9S,12aS,12bS)-3-(1,2-dihydrotriazol-3-yl)-3',6',11,12b-tetramethylspiro[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].

What is the SMILES notation for (3R,3'R,3'aS,4aR,6'S,6aR,6bS,9S,12aS,12bS)-3-(1,2-dihydrotriazol-3-yl)-3',6',11,12b-tetramethylspiro[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]?

The canonical SMILES for (3R,3'R,3'aS,4aR,6'S,6aR,6bS,9S,12aS,12bS)-3-(1,2-dihydrotriazol-3-yl)-3',6',11,12b-tetramethylspiro[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] is CC1=C2C[C@H]3[C@@H](CC[C@@H]4C[C@H](N5C=CNN5)CC[C@@]43C)[C@@H]2CC[C@@]2(C1)OC1C[C@H](C)CN[C@H]1[C@H]2C.

What is the InChIKey of (3R,3'R,3'aS,4aR,6'S,6aR,6bS,9S,12aS,12bS)-3-(1,2-dihydrotriazol-3-yl)-3',6',11,12b-tetramethylspiro[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]?

The InChIKey is PLACAIPTFUFRHF-XWOOJQGZSA-N. The full InChI is InChI=1S/C30H48N4O/c1-18-13-27-28(31-17-18)20(3)30(35-27)10-8-23-24-6-5-21-14-22(34-12-11-32-33-34)7-9-29(21,4)26(24)15-25(23)19(2)16-30/h11-12,18,20-24,26-28,31-33H,5-10,13-17H2,1-4H3/t18-,20+,21+,22+,23-,24-,26-,27?,28-,29-,30-/m0/s1.

What are the key properties of (3R,3'R,3'aS,4aR,6'S,6aR,6bS,9S,12aS,12bS)-3-(1,2-dihydrotriazol-3-yl)-3',6',11,12b-tetramethylspiro[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]?

(3R,3'R,3'aS,4aR,6'S,6aR,6bS,9S,12aS,12bS)-3-(1,2-dihydrotriazol-3-yl)-3',6',11,12b-tetramethylspiro[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] has a molecular weight of 480.74 g/mol, XLogP of 5.28, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,3'R,3'aS,4aR,6'S,6aR,6bS,9S,12aS,12bS)-3-(1,2-dihydrotriazol-3-yl)-3',6',11,12b-tetramethylspiro[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] is sourced from PubChem (CID 143718487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).