[(1R,8S,15R,22R)-18-(hydroxymethyl)-1,8,15,22-tetramethyl-4-hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16(21),17,19-nonaenyl]methanol

C28H28O2 — CID 102258216

IUPAC[(1R,8S,15R,22R)-18-(hydroxymethyl)-1,8,15,22-tetramethyl-4-hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16(21),17,19-nonaenyl]methanol
SMILESC[C@]12c3ccccc3[C@]3(C)c4cc(CO)ccc4[C@](C)(c4cc(CO)ccc41)[C@]23C
InChIInChI=1S/C28H28O2/c1-25-19-7-5-6-8-20(19)26(2)24-14-18(16-30)10-12-22(24)27(3,28(25,26)4)23-13-17(15-29)9-11-21(23)25/h5-14,29-30H,15-16H2,1-4H3/t25-,26+,27+,28+/m0/s1
InChIKeyINJAYFKJTVIQCU-KUXCXQDQSA-N
MW396.53 g/mol
LogP4.94
Rot. Bonds2

About [(1R,8S,15R,22R)-18-(hydroxymethyl)-1,8,15,22-tetramethyl-4-hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16(21),17,19-nonaenyl]methanol

[(1R,8S,15R,22R)-18-(hydroxymethyl)-1,8,15,22-tetramethyl-4-hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16(21),17,19-nonaenyl]methanol (PubChem CID 102258216) has the molecular formula C28H28O2 and a molecular weight of 396.53 g/mol. Its IUPAC name is [(1R,8S,15R,22R)-18-(hydroxymethyl)-1,8,15,22-tetramethyl-4-hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16(21),17,19-nonaenyl]methanol.

Molecular Properties

Compound Name[(1R,8S,15R,22R)-18-(hydroxymethyl)-1,8,15,22-tetramethyl-4-hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16(21),17,19-nonaenyl]methanol
PubChem CID102258216
Molecular FormulaC28H28O2
Molecular Weight396.53 g/mol
Exact Mass396.21
IUPAC Name[(1R,8S,15R,22R)-18-(hydroxymethyl)-1,8,15,22-tetramethyl-4-hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16(21),17,19-nonaenyl]methanol
SMILESC[C@]12c3ccccc3[C@]3(C)c4cc(CO)ccc4[C@](C)(c4cc(CO)ccc41)[C@]23C
InChIInChI=1S/C28H28O2/c1-25-19-7-5-6-8-20(19)26(2)24-14-18(16-30)10-12-22(24)27(3,28(25,26)4)23-13-17(15-29)9-11-21(23)25/h5-14,29-30H,15-16H2,1-4H3/t25-,26+,27+,28+/m0/s1
InChIKeyINJAYFKJTVIQCU-KUXCXQDQSA-N
XLogP4.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1R,8S,15R,22R)-18-(hydroxymethyl)-1,8,15,22-tetramethyl-4-hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16(21),17,19-nonaenyl]methanol with MolForge

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Related Compounds

(1S,8R,15S,22R)-1,8,15,22-tetramethylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16,18,20-nonaen-4-ol
CID 177414444
(1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-4-yl)methanol
CID 15628573
(1R,8R,15S,22S)-1,8,15,22-tetramethyl-4,5,11,12,18-pentanaphthalen-1-ylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,16(21),17,19-nonaene
CID 134850307
4-(hydroxymethyl)-2-[(1S)-1,2,2-trimethylcyclopentyl]phenol
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7-(hydroxymethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol
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CID 90398124
[6-(hydroxymethyl)naphthalen-2-yl]methanol
CID 11788722
2-[2,6-bis(hydroxymethyl)-1H-naphthalen-2-yl]phenol
CID 87732377
phenylmethanol;phosphane;trihydrobromide
CID 174749424
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Frequently Asked Questions

What is the IUPAC name of [(1R,8S,15R,22R)-18-(hydroxymethyl)-1,8,15,22-tetramethyl-4-hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16(21),17,19-nonaenyl]methanol?
The IUPAC name of [(1R,8S,15R,22R)-18-(hydroxymethyl)-1,8,15,22-tetramethyl-4-hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16(21),17,19-nonaenyl]methanol (CID 102258216) is [(1R,8S,15R,22R)-18-(hydroxymethyl)-1,8,15,22-tetramethyl-4-hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16(21),17,19-nonaenyl]methanol.
What is the SMILES notation for [(1R,8S,15R,22R)-18-(hydroxymethyl)-1,8,15,22-tetramethyl-4-hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16(21),17,19-nonaenyl]methanol?
The canonical SMILES for [(1R,8S,15R,22R)-18-(hydroxymethyl)-1,8,15,22-tetramethyl-4-hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16(21),17,19-nonaenyl]methanol is C[C@]12c3ccccc3[C@]3(C)c4cc(CO)ccc4[C@](C)(c4cc(CO)ccc41)[C@]23C.
What is the InChIKey of [(1R,8S,15R,22R)-18-(hydroxymethyl)-1,8,15,22-tetramethyl-4-hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16(21),17,19-nonaenyl]methanol?
The InChIKey is INJAYFKJTVIQCU-KUXCXQDQSA-N. The full InChI is InChI=1S/C28H28O2/c1-25-19-7-5-6-8-20(19)26(2)24-14-18(16-30)10-12-22(24)27(3,28(25,26)4)23-13-17(15-29)9-11-21(23)25/h5-14,29-30H,15-16H2,1-4H3/t25-,26+,27+,28+/m0/s1.
What are the key properties of [(1R,8S,15R,22R)-18-(hydroxymethyl)-1,8,15,22-tetramethyl-4-hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16(21),17,19-nonaenyl]methanol?
[(1R,8S,15R,22R)-18-(hydroxymethyl)-1,8,15,22-tetramethyl-4-hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16(21),17,19-nonaenyl]methanol has a molecular weight of 396.53 g/mol, XLogP of 4.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,8S,15R,22R)-18-(hydroxymethyl)-1,8,15,22-tetramethyl-4-hexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,16(21),17,19-nonaenyl]methanol is sourced from PubChem (CID 102258216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).