5,11,17,23-tetratert-butyl-28-[[1-[2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-[4-[(5,11,17,23-tetratert-butyl-26,27,28-trihydroxy-25-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)oxymethyl]triazol-1-yl]ethoxy]-25-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]oxy]ethyl]triazol-4-yl]methoxy]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-triol

C142H178N6O12 — CID 102009161

About 5,11,17,23-tetratert-butyl-28-[[1-[2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-[4-[(5,11,17,23-tetratert-butyl-26,27,28-trihydroxy-25-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)oxymethyl]triazol-1-yl]ethoxy]-25-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]oxy]ethyl]triazol-4-yl]methoxy]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-triol

5,11,17,23-tetratert-butyl-28-[[1-[2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-[4-[(5,11,17,23-tetratert-butyl-26,27,28-trihydroxy-25-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)oxymethyl]triazol-1-yl]ethoxy]-25-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]oxy]ethyl]triazol-4-yl]methoxy]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-triol (PubChem CID 102009161) has the molecular formula C142H178N6O12 and a molecular weight of 2161.02 g/mol. Its IUPAC name is 5,11,17,23-tetratert-butyl-28-[[1-[2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-[4-[(5,11,17,23-tetratert-butyl-26,27,28-trihydroxy-25-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)oxymethyl]triazol-1-yl]ethoxy]-25-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]oxy]ethyl]triazol-4-yl]methoxy]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-triol.

Molecular Properties

• Compound Name: 5,11,17,23-tetratert-butyl-28-[[1-[2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-[4-[(5,11,17,23-tetratert-butyl-26,27,28-trihydroxy-25-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)oxymethyl]triazol-1-yl]ethoxy]-25-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]oxy]ethyl]triazol-4-yl]methoxy]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-triol
• PubChem CID: 102009161
• Molecular Formula: C142H178N6O12
• Molecular Weight: 2161.02 g/mol
• Exact Mass: 2159.35
• IUPAC Name: 5,11,17,23-tetratert-butyl-28-[[1-[2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-[4-[(5,11,17,23-tetratert-butyl-26,27,28-trihydroxy-25-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)oxymethyl]triazol-1-yl]ethoxy]-25-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]oxy]ethyl]triazol-4-yl]methoxy]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-triol
• SMILES: CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1OCc1cn(CCOc3c4cc(C(C)(C)C)cc3Cc3cc(C(C)(C)C)cc(c3O)Cc3cc(C(C)(C)C)cc(c3OCCn3cc(COc5c6cc(C(C)(C)C)cc5Cc5cc(C(C)(C)C)cc(c5O)Cc5cc(C(C)(C)C)cc(c5O)Cc5cc(C(C)(C)C)cc(c5O)C6)nn3)Cc3cc(C(C)(C)C)cc(c3O)C4)nn1)Cc1cc(C(C)(C)C)cc(c1O)C2
• InChI: InChI=1S/C142H178N6O12/c1-131(2,3)105-53-81-41-85-57-107(133(7,8)9)65-93(121(85)151)49-101-73-115(141(31,32)33)74-102(50-94-66-108(134(10,11)12)58-86(122(94)152)42-82(54-105)119(81)149)129(101)159-79-117-77-147(145-143-117)37-39-157-127-97-45-89-61-111(137(19,20)21)63-91(125(89)155)47-99-71-114(140(28,29)30)72-100(48-92-64-112(138(22,23)24)62-90(126(92)156)46-98(127)70-113(69-97)139(25,26)27)128(99)158-40-38-148-78-118(144-146-148)80-160-130-103-51-95-67-109(135(13,14)15)59-87(123(95)153)43-83-55-106(132(4,5)6)56-84(120(83)150)44-88-60-110(136(16,17)18)68-96(124(88)154)52-104(130)76-116(75-103)142(34,35)36/h53-78,149-156H,37-52,79-80H2,1-36H3
• InChIKey: RQJMQSMIAQHWRM-UHFFFAOYSA-N
• XLogP: 31.43
• TPSA: 260.18 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2161.02
LogP ≤ 5	31.43
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 5,11,17,23-tetratert-butyl-28-[[1-[2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-[4-[(5,11,17,23-tetratert-butyl-26,27,28-trihydroxy-25-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)oxymethyl]triazol-1-yl]ethoxy]-25-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]oxy]ethyl]triazol-4-yl]methoxy]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-triol?

The IUPAC name of 5,11,17,23-tetratert-butyl-28-[[1-[2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-[4-[(5,11,17,23-tetratert-butyl-26,27,28-trihydroxy-25-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)oxymethyl]triazol-1-yl]ethoxy]-25-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]oxy]ethyl]triazol-4-yl]methoxy]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-triol (CID 102009161) is 5,11,17,23-tetratert-butyl-28-[[1-[2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-[4-[(5,11,17,23-tetratert-butyl-26,27,28-trihydroxy-25-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)oxymethyl]triazol-1-yl]ethoxy]-25-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]oxy]ethyl]triazol-4-yl]methoxy]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-triol.

What is the SMILES notation for 5,11,17,23-tetratert-butyl-28-[[1-[2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-[4-[(5,11,17,23-tetratert-butyl-26,27,28-trihydroxy-25-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)oxymethyl]triazol-1-yl]ethoxy]-25-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]oxy]ethyl]triazol-4-yl]methoxy]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-triol?

The canonical SMILES for 5,11,17,23-tetratert-butyl-28-[[1-[2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-[4-[(5,11,17,23-tetratert-butyl-26,27,28-trihydroxy-25-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)oxymethyl]triazol-1-yl]ethoxy]-25-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]oxy]ethyl]triazol-4-yl]methoxy]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-triol is CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1OCc1cn(CCOc3c4cc(C(C)(C)C)cc3Cc3cc(C(C)(C)C)cc(c3O)Cc3cc(C(C)(C)C)cc(c3OCCn3cc(COc5c6cc(C(C)(C)C)cc5Cc5cc(C(C)(C)C)cc(c5O)Cc5cc(C(C)(C)C)cc(c5O)Cc5cc(C(C)(C)C)cc(c5O)C6)nn3)Cc3cc(C(C)(C)C)cc(c3O)C4)nn1)Cc1cc(C(C)(C)C)cc(c1O)C2.

What is the InChIKey of 5,11,17,23-tetratert-butyl-28-[[1-[2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-[4-[(5,11,17,23-tetratert-butyl-26,27,28-trihydroxy-25-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)oxymethyl]triazol-1-yl]ethoxy]-25-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]oxy]ethyl]triazol-4-yl]methoxy]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-triol?

The InChIKey is RQJMQSMIAQHWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C142H178N6O12/c1-131(2,3)105-53-81-41-85-57-107(133(7,8)9)65-93(121(85)151)49-101-73-115(141(31,32)33)74-102(50-94-66-108(134(10,11)12)58-86(122(94)152)42-82(54-105)119(81)149)129(101)159-79-117-77-147(145-143-117)37-39-157-127-97-45-89-61-111(137(19,20)21)63-91(125(89)155)47-99-71-114(140(28,29)30)72-100(48-92-64-112(138(22,23)24)62-90(126(92)156)46-98(127)70-113(69-97)139(25,26)27)128(99)158-40-38-148-78-118(144-146-148)80-160-130-103-51-95-67-109(135(13,14)15)59-87(123(95)153)43-83-55-106(132(4,5)6)56-84(120(83)150)44-88-60-110(136(16,17)18)68-96(124(88)154)52-104(130)76-116(75-103)142(34,35)36/h53-78,149-156H,37-52,79-80H2,1-36H3.

What are the key properties of 5,11,17,23-tetratert-butyl-28-[[1-[2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-[4-[(5,11,17,23-tetratert-butyl-26,27,28-trihydroxy-25-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)oxymethyl]triazol-1-yl]ethoxy]-25-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]oxy]ethyl]triazol-4-yl]methoxy]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-triol?

5,11,17,23-tetratert-butyl-28-[[1-[2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-[4-[(5,11,17,23-tetratert-butyl-26,27,28-trihydroxy-25-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)oxymethyl]triazol-1-yl]ethoxy]-25-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]oxy]ethyl]triazol-4-yl]methoxy]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-triol has a molecular weight of 2161.02 g/mol, XLogP of 31.43, 14 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5,11,17,23-tetratert-butyl-28-[[1-[2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-[4-[(5,11,17,23-tetratert-butyl-26,27,28-trihydroxy-25-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)oxymethyl]triazol-1-yl]ethoxy]-25-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]oxy]ethyl]triazol-4-yl]methoxy]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-triol is sourced from PubChem (CID 102009161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).