5,11,17,23-tetratert-butyl-2-[6-(5,11,17,23-tetratert-butyl-25,26,27,28-tetrahydroxy-2-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)hexyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol

C94H122O8 — CID 132525736

About 5,11,17,23-tetratert-butyl-2-[6-(5,11,17,23-tetratert-butyl-25,26,27,28-tetrahydroxy-2-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)hexyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol

5,11,17,23-tetratert-butyl-2-[6-(5,11,17,23-tetratert-butyl-25,26,27,28-tetrahydroxy-2-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)hexyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol (PubChem CID 132525736) has the molecular formula C94H122O8 and a molecular weight of 1380.00 g/mol. Its IUPAC name is 5,11,17,23-tetratert-butyl-2-[6-(5,11,17,23-tetratert-butyl-25,26,27,28-tetrahydroxy-2-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)hexyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol.

Molecular Properties

• Compound Name: 5,11,17,23-tetratert-butyl-2-[6-(5,11,17,23-tetratert-butyl-25,26,27,28-tetrahydroxy-2-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)hexyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
• PubChem CID: 132525736
• Molecular Formula: C94H122O8
• Molecular Weight: 1380.00 g/mol
• Exact Mass: 1378.91
• IUPAC Name: 5,11,17,23-tetratert-butyl-2-[6-(5,11,17,23-tetratert-butyl-25,26,27,28-tetrahydroxy-2-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)hexyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
• SMILES: CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)C)cc(c1O)C(CCCCCCC1c3cc(C(C)(C)C)cc(c3O)Cc3cc(C(C)(C)C)cc(c3O)Cc3cc(C(C)(C)C)cc(c3O)Cc3cc(C(C)(C)C)cc1c3O)c1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)C2
• InChI: InChI=1S/C94H122O8/c1-87(2,3)65-37-53-31-54-38-66(88(4,5)6)42-58(80(54)96)34-62-46-70(92(16,17)18)50-76(84(62)100)73(75-49-69(91(13,14)15)45-61(83(75)99)33-57(41-65)79(53)95)29-27-25-26-28-30-74-77-51-71(93(19,20)21)47-63(85(77)101)35-59-43-67(89(7,8)9)39-55(81(59)97)32-56-40-68(90(10,11)12)44-60(82(56)98)36-64-48-72(94(22,23)24)52-78(74)86(64)102/h37-52,73-74,95-102H,25-36H2,1-24H3
• InChIKey: RRCCNPYILOQIDK-UHFFFAOYSA-N
• XLogP: 23.19
• TPSA: 161.84 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1380.00
LogP ≤ 5	23.19
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,11,17,23-tetratert-butyl-2-[6-(5,11,17,23-tetratert-butyl-25,26,27,28-tetrahydroxy-2-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)hexyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol?

The IUPAC name of 5,11,17,23-tetratert-butyl-2-[6-(5,11,17,23-tetratert-butyl-25,26,27,28-tetrahydroxy-2-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)hexyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol (CID 132525736) is 5,11,17,23-tetratert-butyl-2-[6-(5,11,17,23-tetratert-butyl-25,26,27,28-tetrahydroxy-2-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)hexyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol.

What is the SMILES notation for 5,11,17,23-tetratert-butyl-2-[6-(5,11,17,23-tetratert-butyl-25,26,27,28-tetrahydroxy-2-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)hexyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol?

The canonical SMILES for 5,11,17,23-tetratert-butyl-2-[6-(5,11,17,23-tetratert-butyl-25,26,27,28-tetrahydroxy-2-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)hexyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol is CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)C)cc(c1O)C(CCCCCCC1c3cc(C(C)(C)C)cc(c3O)Cc3cc(C(C)(C)C)cc(c3O)Cc3cc(C(C)(C)C)cc(c3O)Cc3cc(C(C)(C)C)cc1c3O)c1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)C2.

What is the InChIKey of 5,11,17,23-tetratert-butyl-2-[6-(5,11,17,23-tetratert-butyl-25,26,27,28-tetrahydroxy-2-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)hexyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol?

The InChIKey is RRCCNPYILOQIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H122O8/c1-87(2,3)65-37-53-31-54-38-66(88(4,5)6)42-58(80(54)96)34-62-46-70(92(16,17)18)50-76(84(62)100)73(75-49-69(91(13,14)15)45-61(83(75)99)33-57(41-65)79(53)95)29-27-25-26-28-30-74-77-51-71(93(19,20)21)47-63(85(77)101)35-59-43-67(89(7,8)9)39-55(81(59)97)32-56-40-68(90(10,11)12)44-60(82(56)98)36-64-48-72(94(22,23)24)52-78(74)86(64)102/h37-52,73-74,95-102H,25-36H2,1-24H3.

What are the key properties of 5,11,17,23-tetratert-butyl-2-[6-(5,11,17,23-tetratert-butyl-25,26,27,28-tetrahydroxy-2-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)hexyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol?

5,11,17,23-tetratert-butyl-2-[6-(5,11,17,23-tetratert-butyl-25,26,27,28-tetrahydroxy-2-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)hexyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol has a molecular weight of 1380.00 g/mol, XLogP of 23.19, 7 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5,11,17,23-tetratert-butyl-2-[6-(5,11,17,23-tetratert-butyl-25,26,27,28-tetrahydroxy-2-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)hexyl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol is sourced from PubChem (CID 132525736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).