(1R,9R,10S,12S)-17-(cyclopropylmethyl)-4,10-dihydroxy-12-(2-hydroxyethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1'R,9'R,10'S,12'S)-17'-(cyclopropylmethyl)-12'-(2-hydroxyethyl)spiro[1,3-dioxolane-2,13'-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene]-4',10'-diol;ethyl 2-[(1R,9R,10S,12R)-17-(cyclopropylmethyl)-4,10-dihydroxy-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetate;ethyl 2-[(1'R,9'R,10'S,12'R)-17'-(cyclopropylmethyl)-4',10'-dihydroxyspiro[1,3-dioxolane-2,13'-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene]-12'-yl]acetate;ethyl 2-[(1R,9R,10S,12R)-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetate;methane;tribromoborane

C126H181BBr3N5O24 — CID 158159377

About (1R,9R,10S,12S)-17-(cyclopropylmethyl)-4,10-dihydroxy-12-(2-hydroxyethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1'R,9'R,10'S,12'S)-17'-(cyclopropylmethyl)-12'-(2-hydroxyethyl)spiro[1,3-dioxolane-2,13'-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene]-4',10'-diol;ethyl 2-[(1R,9R,10S,12R)-17-(cyclopropylmethyl)-4,10-dihydroxy-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetate;ethyl 2-[(1'R,9'R,10'S,12'R)-17'-(cyclopropylmethyl)-4',10'-dihydroxyspiro[1,3-dioxolane-2,13'-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene]-12'-yl]acetate;ethyl 2-[(1R,9R,10S,12R)-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetate;methane;tribromoborane

(1R,9R,10S,12S)-17-(cyclopropylmethyl)-4,10-dihydroxy-12-(2-hydroxyethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1'R,9'R,10'S,12'S)-17'-(cyclopropylmethyl)-12'-(2-hydroxyethyl)spiro[1,3-dioxolane-2,13'-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene]-4',10'-diol;ethyl 2-[(1R,9R,10S,12R)-17-(cyclopropylmethyl)-4,10-dihydroxy-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetate;ethyl 2-[(1'R,9'R,10'S,12'R)-17'-(cyclopropylmethyl)-4',10'-dihydroxyspiro[1,3-dioxolane-2,13'-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene]-12'-yl]acetate;ethyl 2-[(1R,9R,10S,12R)-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetate;methane;tribromoborane (PubChem CID 158159377) has the molecular formula C126H181BBr3N5O24 and a molecular weight of 2400.37 g/mol. Its IUPAC name is (1R,9R,10S,12S)-17-(cyclopropylmethyl)-4,10-dihydroxy-12-(2-hydroxyethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1'R,9'R,10'S,12'S)-17'-(cyclopropylmethyl)-12'-(2-hydroxyethyl)spiro[1,3-dioxolane-2,13'-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene]-4',10'-diol;ethyl 2-[(1R,9R,10S,12R)-17-(cyclopropylmethyl)-4,10-dihydroxy-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetate;ethyl 2-[(1'R,9'R,10'S,12'R)-17'-(cyclopropylmethyl)-4',10'-dihydroxyspiro[1,3-dioxolane-2,13'-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene]-12'-yl]acetate;ethyl 2-[(1R,9R,10S,12R)-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetate;methane;tribromoborane.

Molecular Properties

• Compound Name: (1R,9R,10S,12S)-17-(cyclopropylmethyl)-4,10-dihydroxy-12-(2-hydroxyethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1'R,9'R,10'S,12'S)-17'-(cyclopropylmethyl)-12'-(2-hydroxyethyl)spiro[1,3-dioxolane-2,13'-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene]-4',10'-diol;ethyl 2-[(1R,9R,10S,12R)-17-(cyclopropylmethyl)-4,10-dihydroxy-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetate;ethyl 2-[(1'R,9'R,10'S,12'R)-17'-(cyclopropylmethyl)-4',10'-dihydroxyspiro[1,3-dioxolane-2,13'-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene]-12'-yl]acetate;ethyl 2-[(1R,9R,10S,12R)-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetate;methane;tribromoborane
• PubChem CID: 158159377
• Molecular Formula: C126H181BBr3N5O24
• Molecular Weight: 2400.37 g/mol
• Exact Mass: 2396.07
• IUPAC Name: (1R,9R,10S,12S)-17-(cyclopropylmethyl)-4,10-dihydroxy-12-(2-hydroxyethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1'R,9'R,10'S,12'S)-17'-(cyclopropylmethyl)-12'-(2-hydroxyethyl)spiro[1,3-dioxolane-2,13'-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene]-4',10'-diol;ethyl 2-[(1R,9R,10S,12R)-17-(cyclopropylmethyl)-4,10-dihydroxy-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetate;ethyl 2-[(1'R,9'R,10'S,12'R)-17'-(cyclopropylmethyl)-4',10'-dihydroxyspiro[1,3-dioxolane-2,13'-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene]-12'-yl]acetate;ethyl 2-[(1R,9R,10S,12R)-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetate;methane;tribromoborane
• SMILES: BrB(Br)Br.C.C.C.C.C.CCOC(=O)C[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(C)cc4[C@@]2(CCN3CC2CC2)CC1=O.CCOC(=O)C[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC12OCCO2.CCOC(=O)C[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O.O=C1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@]3(O)C[C@@H]1CCO.OCC[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC12OCCO2
• InChI: InChI=1S/C26H35NO6.C25H33NO4.C24H33NO5.C24H31NO5.C22H29NO4.5CH4.BBr3/c1-2-31-23(29)12-19-14-25(30)22-11-18-5-6-20(28)13-21(18)24(25,16-26(19)32-9-10-33-26)7-8-27(22)15-17-3-4-17;1-3-30-23(28)12-19-13-25(29)22-11-18-7-4-16(2)10-20(18)24(25,14-21(19)27)8-9-26(22)15-17-5-6-17;26-8-5-18-13-23(28)21-11-17-3-4-19(27)12-20(17)22(23,15-24(18)29-9-10-30-24)6-7-25(21)14-16-1-2-16;1-2-30-22(28)10-17-12-24(29)21-9-16-5-6-18(26)11-19(16)23(24,13-20(17)27)7-8-25(21)14-15-3-4-15;24-8-5-16-11-22(27)20-9-15-3-4-17(25)10-18(15)21(22,12-19(16)26)6-7-23(20)13-14-1-2-14;;;;;;2-1(3)4/h5-6,13,17,19,22,28,30H,2-4,7-12,14-16H2,1H3;4,7,10,17,19,22,29H,3,5-6,8-9,11-15H2,1-2H3;3-4,12,16,18,21,26-28H,1-2,5-11,13-15H2;5-6,11,15,17,21,26,29H,2-4,7-10,12-14H2,1H3;3-4,10,14,16,20,24-25,27H,1-2,5-9,11-13H2;5*1H4;/t2*19-,22+,24+,25+;18-,21+,22+,23+;17-,21+,23+,24+;16-,20+,21+,22+;;;;;;/m00000....../s1
• InChIKey: FWBVPNBQNFWTTL-XSWYGTTNSA-N
• XLogP: 16.81
• TPSA: 405.76 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 29
• Rotatable Bonds: 23
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2400.37
LogP ≤ 5	16.81
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R,9R,10S,12S)-17-(cyclopropylmethyl)-4,10-dihydroxy-12-(2-hydroxyethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1'R,9'R,10'S,12'S)-17'-(cyclopropylmethyl)-12'-(2-hydroxyethyl)spiro[1,3-dioxolane-2,13'-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene]-4',10'-diol;ethyl 2-[(1R,9R,10S,12R)-17-(cyclopropylmethyl)-4,10-dihydroxy-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetate;ethyl 2-[(1'R,9'R,10'S,12'R)-17'-(cyclopropylmethyl)-4',10'-dihydroxyspiro[1,3-dioxolane-2,13'-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene]-12'-yl]acetate;ethyl 2-[(1R,9R,10S,12R)-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetate;methane;tribromoborane?

The IUPAC name of (1R,9R,10S,12S)-17-(cyclopropylmethyl)-4,10-dihydroxy-12-(2-hydroxyethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1'R,9'R,10'S,12'S)-17'-(cyclopropylmethyl)-12'-(2-hydroxyethyl)spiro[1,3-dioxolane-2,13'-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene]-4',10'-diol;ethyl 2-[(1R,9R,10S,12R)-17-(cyclopropylmethyl)-4,10-dihydroxy-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetate;ethyl 2-[(1'R,9'R,10'S,12'R)-17'-(cyclopropylmethyl)-4',10'-dihydroxyspiro[1,3-dioxolane-2,13'-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene]-12'-yl]acetate;ethyl 2-[(1R,9R,10S,12R)-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetate;methane;tribromoborane (CID 158159377) is (1R,9R,10S,12S)-17-(cyclopropylmethyl)-4,10-dihydroxy-12-(2-hydroxyethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1'R,9'R,10'S,12'S)-17'-(cyclopropylmethyl)-12'-(2-hydroxyethyl)spiro[1,3-dioxolane-2,13'-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene]-4',10'-diol;ethyl 2-[(1R,9R,10S,12R)-17-(cyclopropylmethyl)-4,10-dihydroxy-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetate;ethyl 2-[(1'R,9'R,10'S,12'R)-17'-(cyclopropylmethyl)-4',10'-dihydroxyspiro[1,3-dioxolane-2,13'-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene]-12'-yl]acetate;ethyl 2-[(1R,9R,10S,12R)-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetate;methane;tribromoborane.

What is the SMILES notation for (1R,9R,10S,12S)-17-(cyclopropylmethyl)-4,10-dihydroxy-12-(2-hydroxyethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1'R,9'R,10'S,12'S)-17'-(cyclopropylmethyl)-12'-(2-hydroxyethyl)spiro[1,3-dioxolane-2,13'-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene]-4',10'-diol;ethyl 2-[(1R,9R,10S,12R)-17-(cyclopropylmethyl)-4,10-dihydroxy-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetate;ethyl 2-[(1'R,9'R,10'S,12'R)-17'-(cyclopropylmethyl)-4',10'-dihydroxyspiro[1,3-dioxolane-2,13'-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene]-12'-yl]acetate;ethyl 2-[(1R,9R,10S,12R)-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetate;methane;tribromoborane?

The canonical SMILES for (1R,9R,10S,12S)-17-(cyclopropylmethyl)-4,10-dihydroxy-12-(2-hydroxyethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1'R,9'R,10'S,12'S)-17'-(cyclopropylmethyl)-12'-(2-hydroxyethyl)spiro[1,3-dioxolane-2,13'-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene]-4',10'-diol;ethyl 2-[(1R,9R,10S,12R)-17-(cyclopropylmethyl)-4,10-dihydroxy-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetate;ethyl 2-[(1'R,9'R,10'S,12'R)-17'-(cyclopropylmethyl)-4',10'-dihydroxyspiro[1,3-dioxolane-2,13'-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene]-12'-yl]acetate;ethyl 2-[(1R,9R,10S,12R)-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetate;methane;tribromoborane is BrB(Br)Br.C.C.C.C.C.CCOC(=O)C[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(C)cc4[C@@]2(CCN3CC2CC2)CC1=O.CCOC(=O)C[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC12OCCO2.CCOC(=O)C[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O.O=C1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@]3(O)C[C@@H]1CCO.OCC[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC12OCCO2.

What is the InChIKey of (1R,9R,10S,12S)-17-(cyclopropylmethyl)-4,10-dihydroxy-12-(2-hydroxyethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1'R,9'R,10'S,12'S)-17'-(cyclopropylmethyl)-12'-(2-hydroxyethyl)spiro[1,3-dioxolane-2,13'-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene]-4',10'-diol;ethyl 2-[(1R,9R,10S,12R)-17-(cyclopropylmethyl)-4,10-dihydroxy-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetate;ethyl 2-[(1'R,9'R,10'S,12'R)-17'-(cyclopropylmethyl)-4',10'-dihydroxyspiro[1,3-dioxolane-2,13'-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene]-12'-yl]acetate;ethyl 2-[(1R,9R,10S,12R)-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetate;methane;tribromoborane?

The InChIKey is FWBVPNBQNFWTTL-XSWYGTTNSA-N. The full InChI is InChI=1S/C26H35NO6.C25H33NO4.C24H33NO5.C24H31NO5.C22H29NO4.5CH4.BBr3/c1-2-31-23(29)12-19-14-25(30)22-11-18-5-6-20(28)13-21(18)24(25,16-26(19)32-9-10-33-26)7-8-27(22)15-17-3-4-17;1-3-30-23(28)12-19-13-25(29)22-11-18-7-4-16(2)10-20(18)24(25,14-21(19)27)8-9-26(22)15-17-5-6-17;26-8-5-18-13-23(28)21-11-17-3-4-19(27)12-20(17)22(23,15-24(18)29-9-10-30-24)6-7-25(21)14-16-1-2-16;1-2-30-22(28)10-17-12-24(29)21-9-16-5-6-18(26)11-19(16)23(24,13-20(17)27)7-8-25(21)14-15-3-4-15;24-8-5-16-11-22(27)20-9-15-3-4-17(25)10-18(15)21(22,12-19(16)26)6-7-23(20)13-14-1-2-14;;;;;;2-1(3)4/h5-6,13,17,19,22,28,30H,2-4,7-12,14-16H2,1H3;4,7,10,17,19,22,29H,3,5-6,8-9,11-15H2,1-2H3;3-4,12,16,18,21,26-28H,1-2,5-11,13-15H2;5-6,11,15,17,21,26,29H,2-4,7-10,12-14H2,1H3;3-4,10,14,16,20,24-25,27H,1-2,5-9,11-13H2;5*1H4;/t2*19-,22+,24+,25+;18-,21+,22+,23+;17-,21+,23+,24+;16-,20+,21+,22+;;;;;;/m00000....../s1.

What are the key properties of (1R,9R,10S,12S)-17-(cyclopropylmethyl)-4,10-dihydroxy-12-(2-hydroxyethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1'R,9'R,10'S,12'S)-17'-(cyclopropylmethyl)-12'-(2-hydroxyethyl)spiro[1,3-dioxolane-2,13'-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene]-4',10'-diol;ethyl 2-[(1R,9R,10S,12R)-17-(cyclopropylmethyl)-4,10-dihydroxy-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetate;ethyl 2-[(1'R,9'R,10'S,12'R)-17'-(cyclopropylmethyl)-4',10'-dihydroxyspiro[1,3-dioxolane-2,13'-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene]-12'-yl]acetate;ethyl 2-[(1R,9R,10S,12R)-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetate;methane;tribromoborane?

(1R,9R,10S,12S)-17-(cyclopropylmethyl)-4,10-dihydroxy-12-(2-hydroxyethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1'R,9'R,10'S,12'S)-17'-(cyclopropylmethyl)-12'-(2-hydroxyethyl)spiro[1,3-dioxolane-2,13'-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene]-4',10'-diol;ethyl 2-[(1R,9R,10S,12R)-17-(cyclopropylmethyl)-4,10-dihydroxy-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetate;ethyl 2-[(1'R,9'R,10'S,12'R)-17'-(cyclopropylmethyl)-4',10'-dihydroxyspiro[1,3-dioxolane-2,13'-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene]-12'-yl]acetate;ethyl 2-[(1R,9R,10S,12R)-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetate;methane;tribromoborane has a molecular weight of 2400.37 g/mol, XLogP of 16.81, 23 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,9R,10S,12S)-17-(cyclopropylmethyl)-4,10-dihydroxy-12-(2-hydroxyethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one;(1'R,9'R,10'S,12'S)-17'-(cyclopropylmethyl)-12'-(2-hydroxyethyl)spiro[1,3-dioxolane-2,13'-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene]-4',10'-diol;ethyl 2-[(1R,9R,10S,12R)-17-(cyclopropylmethyl)-4,10-dihydroxy-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetate;ethyl 2-[(1'R,9'R,10'S,12'R)-17'-(cyclopropylmethyl)-4',10'-dihydroxyspiro[1,3-dioxolane-2,13'-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene]-12'-yl]acetate;ethyl 2-[(1R,9R,10S,12R)-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-12-yl]acetate;methane;tribromoborane is sourced from PubChem (CID 158159377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).