(6S,7R,15S,16R)-5,5,11,11,17,17-hexamethylpentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene-6,7,15,16-tetrol

C25H30O4 — CID 122364843

IUPAC(6S,7R,15S,16R)-5,5,11,11,17,17-hexamethylpentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene-6,7,15,16-tetrol
SMILESCC1(C)c2cc3c(cc2-c2cc4c(cc21)[C@H](O)[C@H](O)C4(C)C)C(C)(C)[C@H](O)[C@@H]3O
InChIInChI=1S/C25H30O4/c1-23(2)15-9-13-17(24(3,4)21(28)19(13)26)7-11(15)12-8-18-14(10-16(12)23)20(27)22(29)25(18,5)6/h7-10,19-22,26-29H,1-6H3/t19-,20+,21-,22+
InChIKeyAVEOFOMHZBWQKI-COPRSSIGSA-N
MW394.51 g/mol
LogP3.36
Rot. Bonds

About (6S,7R,15S,16R)-5,5,11,11,17,17-hexamethylpentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene-6,7,15,16-tetrol

(6S,7R,15S,16R)-5,5,11,11,17,17-hexamethylpentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene-6,7,15,16-tetrol (PubChem CID 122364843) has the molecular formula C25H30O4 and a molecular weight of 394.51 g/mol. Its IUPAC name is (6S,7R,15S,16R)-5,5,11,11,17,17-hexamethylpentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene-6,7,15,16-tetrol.

Molecular Properties

Compound Name(6S,7R,15S,16R)-5,5,11,11,17,17-hexamethylpentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene-6,7,15,16-tetrol
PubChem CID122364843
Molecular FormulaC25H30O4
Molecular Weight394.51 g/mol
Exact Mass394.21
IUPAC Name(6S,7R,15S,16R)-5,5,11,11,17,17-hexamethylpentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene-6,7,15,16-tetrol
SMILESCC1(C)c2cc3c(cc2-c2cc4c(cc21)[C@H](O)[C@H](O)C4(C)C)C(C)(C)[C@H](O)[C@@H]3O
InChIInChI=1S/C25H30O4/c1-23(2)15-9-13-17(24(3,4)21(28)19(13)26)7-11(15)12-8-18-14(10-16(12)23)20(27)22(29)25(18,5)6/h7-10,19-22,26-29H,1-6H3/t19-,20+,21-,22+
InChIKeyAVEOFOMHZBWQKI-COPRSSIGSA-N
XLogP3.36
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 53.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (6S,7R,15S,16R)-5,5,11,11,17,17-hexamethylpentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene-6,7,15,16-tetrol with MolForge

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Related Compounds

2,3,6,7,9,9-hexamethylfluorene
CID 59701923
12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;naphthalene
CID 158911648
12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;ethane
CID 91266782
2-bromo-6-iodo-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 14896377
2,8-bis(bromomethyl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene;ethane
CID 143467671
5-(5,5,15,15,26,26-hexamethyl-19-phenyl-8-heptacyclo[14.12.0.02,14.04,12.06,11.018,27.020,25]octacosa-1(28),2(14),3,6(11),7,9,12,16,18(27),20,22,24-dodecaenyl)-10-phenylphenazine
CID 91287474
9,9-dimethylfluorene-2,6-diamine
CID 156512652
(1S,2S)-2-bromo-3,3-dimethyl-5-(trifluoromethyl)-1,2-dihydroinden-1-ol
CID 54303916
bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)methanone
CID 58922078
3,6,9,9-tetramethyl-2-phenyl-7-(3,6,9,9-tetramethyl-7-phenylfluoren-2-yl)fluorene
CID 59782340
2-fluoro-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-amine
CID 59742364
2-[[16-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroinden-2-ylidene)amino]-11,11-dimethyl-5,17-dithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaen-6-yl]imino]-3a,4,5,6,7,7a-hexahydroindene-1,3-dione
CID 164954170

Frequently Asked Questions

What is the IUPAC name of (6S,7R,15S,16R)-5,5,11,11,17,17-hexamethylpentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene-6,7,15,16-tetrol?
The IUPAC name of (6S,7R,15S,16R)-5,5,11,11,17,17-hexamethylpentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene-6,7,15,16-tetrol (CID 122364843) is (6S,7R,15S,16R)-5,5,11,11,17,17-hexamethylpentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene-6,7,15,16-tetrol.
What is the SMILES notation for (6S,7R,15S,16R)-5,5,11,11,17,17-hexamethylpentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene-6,7,15,16-tetrol?
The canonical SMILES for (6S,7R,15S,16R)-5,5,11,11,17,17-hexamethylpentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene-6,7,15,16-tetrol is CC1(C)c2cc3c(cc2-c2cc4c(cc21)[C@H](O)[C@H](O)C4(C)C)C(C)(C)[C@H](O)[C@@H]3O.
What is the InChIKey of (6S,7R,15S,16R)-5,5,11,11,17,17-hexamethylpentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene-6,7,15,16-tetrol?
The InChIKey is AVEOFOMHZBWQKI-COPRSSIGSA-N. The full InChI is InChI=1S/C25H30O4/c1-23(2)15-9-13-17(24(3,4)21(28)19(13)26)7-11(15)12-8-18-14(10-16(12)23)20(27)22(29)25(18,5)6/h7-10,19-22,26-29H,1-6H3/t19-,20+,21-,22+.
What are the key properties of (6S,7R,15S,16R)-5,5,11,11,17,17-hexamethylpentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene-6,7,15,16-tetrol?
(6S,7R,15S,16R)-5,5,11,11,17,17-hexamethylpentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene-6,7,15,16-tetrol has a molecular weight of 394.51 g/mol, XLogP of 3.36, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7R,15S,16R)-5,5,11,11,17,17-hexamethylpentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene-6,7,15,16-tetrol is sourced from PubChem (CID 122364843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).