(6S,7S,22R,23R)-hexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5(10),8,12,14,16,19(24),20,25-undecaene-6,7,22,23-tetrol

C26H20O4 — CID 10500935

IUPAC(6S,7S,22R,23R)-hexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5(10),8,12,14,16,19(24),20,25-undecaene-6,7,22,23-tetrol
SMILESO[C@@H]1C=Cc2c(ccc3c4ccc5c(c4c4ccccc4c23)C=C[C@H](O)[C@H]5O)[C@H]1O
InChIInChI=1S/C26H20O4/c27-21-11-9-17-19(25(21)29)7-5-15-16-6-8-20-18(10-12-22(28)26(20)30)24(16)14-4-2-1-3-13(14)23(15)17/h1-12,21-22,25-30H/t21-,22+,25-,26+
InChIKeyNBVJEMJHDNHSBR-MNHALERFSA-N
MW396.44 g/mol
LogP3.99
Rot. Bonds

About (6S,7S,22R,23R)-hexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5(10),8,12,14,16,19(24),20,25-undecaene-6,7,22,23-tetrol

(6S,7S,22R,23R)-hexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5(10),8,12,14,16,19(24),20,25-undecaene-6,7,22,23-tetrol (PubChem CID 10500935) has the molecular formula C26H20O4 and a molecular weight of 396.44 g/mol. Its IUPAC name is (6S,7S,22R,23R)-hexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5(10),8,12,14,16,19(24),20,25-undecaene-6,7,22,23-tetrol.

Molecular Properties

Compound Name(6S,7S,22R,23R)-hexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5(10),8,12,14,16,19(24),20,25-undecaene-6,7,22,23-tetrol
PubChem CID10500935
Molecular FormulaC26H20O4
Molecular Weight396.44 g/mol
Exact Mass396.14
IUPAC Name(6S,7S,22R,23R)-hexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5(10),8,12,14,16,19(24),20,25-undecaene-6,7,22,23-tetrol
SMILESO[C@@H]1C=Cc2c(ccc3c4ccc5c(c4c4ccccc4c23)C=C[C@H](O)[C@H]5O)[C@H]1O
InChIInChI=1S/C26H20O4/c27-21-11-9-17-19(25(21)29)7-5-15-16-6-8-20-18(10-12-22(28)26(20)30)24(16)14-4-2-1-3-13(14)23(15)17/h1-12,21-22,25-30H/t21-,22+,25-,26+
InChIKeyNBVJEMJHDNHSBR-MNHALERFSA-N
XLogP3.99
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze (6S,7S,22R,23R)-hexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5(10),8,12,14,16,19(24),20,25-undecaene-6,7,22,23-tetrol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(13S,14S,18R,19R)-hexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(22),2,4,6,8(24),9,11,15(23),16,20-decaene-13,14,18,19-tetrol
CID 15418685
3,4-dihydronaphtho[1,2-b][1]benzothiole-3,4-diol
CID 14709452
(1R,2S)-1,2-dihydronaphthalene-1,2,5-triol
CID 102427204
(7R,8R,18S,19S)-pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4(9),5,10,12,15,17(22),20-nonaene-7,8,18,19-tetrol
CID 10712585
(3R,4R)-11-methyl-4,15,16,17-tetrahydro-3H-cyclopenta[a]phenanthrene-3,4-diol
CID 11777698
(8S,9S)-7,12-dimethyl-8,9-dihydrobenzo[a]anthracene-8,9-diol
CID 54071625
(6R,7R)-6,7-dihydrobenzo[g][1]benzothiole-6,7-diol
CID 102015309
(10S,11S)-10,11-dihydrobenzo[a]anthracene-10,11-diol
CID 23621324
(7S,8S)-6-fluoro-7,8-dihydrobenzo[a]pyrene-7,8-diol
CID 10780808
4-(hydroxymethyl)-10,11-dihydrobenzo[a]anthracene-10,11-diol
CID 53462388
(16R,17R,18S,19R)-16-aminopentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15(20),21-nonaene-17,18,19-triol
CID 10360195
(16S,17R,18S,19R)-16-aminopentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15(20),21-nonaene-17,18,19-triol
CID 10450253

Frequently Asked Questions

What is the IUPAC name of (6S,7S,22R,23R)-hexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5(10),8,12,14,16,19(24),20,25-undecaene-6,7,22,23-tetrol?
The IUPAC name of (6S,7S,22R,23R)-hexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5(10),8,12,14,16,19(24),20,25-undecaene-6,7,22,23-tetrol (CID 10500935) is (6S,7S,22R,23R)-hexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5(10),8,12,14,16,19(24),20,25-undecaene-6,7,22,23-tetrol.
What is the SMILES notation for (6S,7S,22R,23R)-hexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5(10),8,12,14,16,19(24),20,25-undecaene-6,7,22,23-tetrol?
The canonical SMILES for (6S,7S,22R,23R)-hexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5(10),8,12,14,16,19(24),20,25-undecaene-6,7,22,23-tetrol is O[C@@H]1C=Cc2c(ccc3c4ccc5c(c4c4ccccc4c23)C=C[C@H](O)[C@H]5O)[C@H]1O.
What is the InChIKey of (6S,7S,22R,23R)-hexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5(10),8,12,14,16,19(24),20,25-undecaene-6,7,22,23-tetrol?
The InChIKey is NBVJEMJHDNHSBR-MNHALERFSA-N. The full InChI is InChI=1S/C26H20O4/c27-21-11-9-17-19(25(21)29)7-5-15-16-6-8-20-18(10-12-22(28)26(20)30)24(16)14-4-2-1-3-13(14)23(15)17/h1-12,21-22,25-30H/t21-,22+,25-,26+.
What are the key properties of (6S,7S,22R,23R)-hexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5(10),8,12,14,16,19(24),20,25-undecaene-6,7,22,23-tetrol?
(6S,7S,22R,23R)-hexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5(10),8,12,14,16,19(24),20,25-undecaene-6,7,22,23-tetrol has a molecular weight of 396.44 g/mol, XLogP of 3.99, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S,22R,23R)-hexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5(10),8,12,14,16,19(24),20,25-undecaene-6,7,22,23-tetrol is sourced from PubChem (CID 10500935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).