(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-3',6',11,12b-tetramethyl-4'-(2-propoxyethyl)spiro[1,2,3,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3S,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-6',11,12b-trimethyl-4'-(2-propoxyethyl)spiro[1,2,3,4,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one;(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[1,2,3,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol

C149H231N5O15 — CID 161249517

About (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-3',6',11,12b-tetramethyl-4'-(2-propoxyethyl)spiro[1,2,3,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3S,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-6',11,12b-trimethyl-4'-(2-propoxyethyl)spiro[1,2,3,4,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one;(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[1,2,3,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol

(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-3',6',11,12b-tetramethyl-4'-(2-propoxyethyl)spiro[1,2,3,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3S,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-6',11,12b-trimethyl-4'-(2-propoxyethyl)spiro[1,2,3,4,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one;(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[1,2,3,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol (PubChem CID 161249517) has the molecular formula C149H231N5O15 and a molecular weight of 2332.51 g/mol. Its IUPAC name is (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-3',6',11,12b-tetramethyl-4'-(2-propoxyethyl)spiro[1,2,3,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3S,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-6',11,12b-trimethyl-4'-(2-propoxyethyl)spiro[1,2,3,4,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one;(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[1,2,3,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol.

Molecular Properties

• Compound Name: (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-3',6',11,12b-tetramethyl-4'-(2-propoxyethyl)spiro[1,2,3,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3S,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-6',11,12b-trimethyl-4'-(2-propoxyethyl)spiro[1,2,3,4,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one;(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[1,2,3,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol
• PubChem CID: 161249517
• Molecular Formula: C149H231N5O15
• Molecular Weight: 2332.51 g/mol
• Exact Mass: 2330.75
• IUPAC Name: (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-3',6',11,12b-tetramethyl-4'-(2-propoxyethyl)spiro[1,2,3,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3S,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-6',11,12b-trimethyl-4'-(2-propoxyethyl)spiro[1,2,3,4,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one;(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[1,2,3,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol
• SMILES: CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN(O)[C@H]1[C@H]2C.CC1=C2C[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN(O)[C@H]1[C@H]2C.CC1=C2C[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN(O)[C@H]1[C@H]2C.CCCOCCN1C[C@@H](C)C[C@H]2O[C@]3(CC[C@@H]4C(=C(C)C3)C[C@H]3[C@H]4CC=C4C[C@@H](O)CC[C@@]43C)C[C@@H]21.CCCOCCN1C[C@@H](C)C[C@H]2O[C@]3(CC[C@@H]4C(=C(C)C3)C[C@H]3[C@H]4CCC4=C[C@@H](O)CC[C@@]43C)[C@H](C)[C@@H]21
• InChI: InChI=1S/C33H53NO3.C32H51NO3.2C28H43NO3.C28H41NO3/c1-6-14-36-15-13-34-20-21(2)16-30-31(34)23(4)33(37-30)12-10-26-27-8-7-24-17-25(35)9-11-32(24,5)29(27)18-28(26)22(3)19-33;1-5-13-35-14-12-33-20-21(2)15-30-29(33)19-32(36-30)11-9-25-26-7-6-23-16-24(34)8-10-31(23,4)28(26)17-27(25)22(3)18-32;3*1-16-11-25-26(29(31)15-16)18(3)28(32-25)10-8-21-22-6-5-19-12-20(30)7-9-27(19,4)24(22)13-23(21)17(2)14-28/h17,21,23,25-27,29-31,35H,6-16,18-20H2,1-5H3;6,21,24-26,28-30,34H,5,7-20H2,1-4H3;12,16,18,20-22,24-26,30-31H,5-11,13-15H2,1-4H3;5,16,18,20-22,24-26,30-31H,6-15H2,1-4H3;12,16,18,21-22,24-26,31H,5-11,13-15H2,1-4H3/t21-,23+,25-,26-,27-,29-,30+,31-,32-,33-;21-,24-,25-,26-,28-,29-,30+,31-,32-;2*16-,18+,20-,21-,22-,24-,25+,26-,27-,28-;16-,18+,21-,22-,24-,25+,26-,27-,28-/m00000/s1
• InChIKey: VBBUTJITJPKAKP-PKCSHXGASA-N
• XLogP: 29.50
• TPSA: 239.49 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 10
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2332.51
LogP ≤ 5	29.50
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-3',6',11,12b-tetramethyl-4'-(2-propoxyethyl)spiro[1,2,3,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3S,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-6',11,12b-trimethyl-4'-(2-propoxyethyl)spiro[1,2,3,4,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one;(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[1,2,3,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol?

The IUPAC name of (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-3',6',11,12b-tetramethyl-4'-(2-propoxyethyl)spiro[1,2,3,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3S,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-6',11,12b-trimethyl-4'-(2-propoxyethyl)spiro[1,2,3,4,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one;(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[1,2,3,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol (CID 161249517) is (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-3',6',11,12b-tetramethyl-4'-(2-propoxyethyl)spiro[1,2,3,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3S,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-6',11,12b-trimethyl-4'-(2-propoxyethyl)spiro[1,2,3,4,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one;(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[1,2,3,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol.

What is the SMILES notation for (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-3',6',11,12b-tetramethyl-4'-(2-propoxyethyl)spiro[1,2,3,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3S,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-6',11,12b-trimethyl-4'-(2-propoxyethyl)spiro[1,2,3,4,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one;(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[1,2,3,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol?

The canonical SMILES for (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-3',6',11,12b-tetramethyl-4'-(2-propoxyethyl)spiro[1,2,3,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3S,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-6',11,12b-trimethyl-4'-(2-propoxyethyl)spiro[1,2,3,4,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one;(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[1,2,3,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol is CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN(O)[C@H]1[C@H]2C.CC1=C2C[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN(O)[C@H]1[C@H]2C.CC1=C2C[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN(O)[C@H]1[C@H]2C.CCCOCCN1C[C@@H](C)C[C@H]2O[C@]3(CC[C@@H]4C(=C(C)C3)C[C@H]3[C@H]4CC=C4C[C@@H](O)CC[C@@]43C)C[C@@H]21.CCCOCCN1C[C@@H](C)C[C@H]2O[C@]3(CC[C@@H]4C(=C(C)C3)C[C@H]3[C@H]4CCC4=C[C@@H](O)CC[C@@]43C)[C@H](C)[C@@H]21.

What is the InChIKey of (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-3',6',11,12b-tetramethyl-4'-(2-propoxyethyl)spiro[1,2,3,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3S,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-6',11,12b-trimethyl-4'-(2-propoxyethyl)spiro[1,2,3,4,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one;(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[1,2,3,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol?

The InChIKey is VBBUTJITJPKAKP-PKCSHXGASA-N. The full InChI is InChI=1S/C33H53NO3.C32H51NO3.2C28H43NO3.C28H41NO3/c1-6-14-36-15-13-34-20-21(2)16-30-31(34)23(4)33(37-30)12-10-26-27-8-7-24-17-25(35)9-11-32(24,5)29(27)18-28(26)22(3)19-33;1-5-13-35-14-12-33-20-21(2)15-30-29(33)19-32(36-30)11-9-25-26-7-6-23-16-24(34)8-10-31(23,4)28(26)17-27(25)22(3)18-32;3*1-16-11-25-26(29(31)15-16)18(3)28(32-25)10-8-21-22-6-5-19-12-20(30)7-9-27(19,4)24(22)13-23(21)17(2)14-28/h17,21,23,25-27,29-31,35H,6-16,18-20H2,1-5H3;6,21,24-26,28-30,34H,5,7-20H2,1-4H3;12,16,18,20-22,24-26,30-31H,5-11,13-15H2,1-4H3;5,16,18,20-22,24-26,30-31H,6-15H2,1-4H3;12,16,18,21-22,24-26,31H,5-11,13-15H2,1-4H3/t21-,23+,25-,26-,27-,29-,30+,31-,32-,33-;21-,24-,25-,26-,28-,29-,30+,31-,32-;2*16-,18+,20-,21-,22-,24-,25+,26-,27-,28-;16-,18+,21-,22-,24-,25+,26-,27-,28-/m00000/s1.

What are the key properties of (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-3',6',11,12b-tetramethyl-4'-(2-propoxyethyl)spiro[1,2,3,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3S,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-6',11,12b-trimethyl-4'-(2-propoxyethyl)spiro[1,2,3,4,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one;(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[1,2,3,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol?

(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-3',6',11,12b-tetramethyl-4'-(2-propoxyethyl)spiro[1,2,3,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3S,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-6',11,12b-trimethyl-4'-(2-propoxyethyl)spiro[1,2,3,4,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one;(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[1,2,3,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol has a molecular weight of 2332.51 g/mol, XLogP of 29.50, 10 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-3',6',11,12b-tetramethyl-4'-(2-propoxyethyl)spiro[1,2,3,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3S,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-6',11,12b-trimethyl-4'-(2-propoxyethyl)spiro[1,2,3,4,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one;(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol;(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-4'-hydroxy-3',6',11,12b-tetramethylspiro[1,2,3,5,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol is sourced from PubChem (CID 161249517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).