(1R,6S,14R,15S,17R,20R,22S)-10,15,20-trihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10-triene-8,19-dione

C25H32O7 — CID 46844355

IUPAC(1R,6S,14R,15S,17R,20R,22S)-10,15,20-trihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10-triene-8,19-dione
SMILESC[C@H]1Cc2c3c(cc(O)c2C(=O)O1)O[C@]1(C)[C@H](C3)[C@@]2(C)C[C@@H](O)C(=O)C(C)(C)[C@@H]2C[C@@H]1O
InChIInChI=1S/C25H32O7/c1-11-6-13-12-7-18-24(4)10-15(27)21(29)23(2,3)17(24)9-19(28)25(18,5)32-16(12)8-14(26)20(13)22(30)31-11/h8,11,15,17-19,26-28H,6-7,9-10H2,1-5H3/t11-,15+,17-,18+,19-,24-,25+/m0/s1
InChIKeyVCNAFGMPMGHLGZ-WJBURNOASA-N
MW444.52 g/mol
LogP2.55
Rot. Bonds

About (1R,6S,14R,15S,17R,20R,22S)-10,15,20-trihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10-triene-8,19-dione

(1R,6S,14R,15S,17R,20R,22S)-10,15,20-trihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10-triene-8,19-dione (PubChem CID 46844355) has the molecular formula C25H32O7 and a molecular weight of 444.52 g/mol. Its IUPAC name is (1R,6S,14R,15S,17R,20R,22S)-10,15,20-trihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10-triene-8,19-dione.

Molecular Properties

Compound Name(1R,6S,14R,15S,17R,20R,22S)-10,15,20-trihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10-triene-8,19-dione
PubChem CID46844355
Molecular FormulaC25H32O7
Molecular Weight444.52 g/mol
Exact Mass444.21
IUPAC Name(1R,6S,14R,15S,17R,20R,22S)-10,15,20-trihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10-triene-8,19-dione
SMILESC[C@H]1Cc2c3c(cc(O)c2C(=O)O1)O[C@]1(C)[C@H](C3)[C@@]2(C)C[C@@H](O)C(=O)C(C)(C)[C@@H]2C[C@@H]1O
InChIInChI=1S/C25H32O7/c1-11-6-13-12-7-18-24(4)10-15(27)21(29)23(2,3)17(24)9-19(28)25(18,5)32-16(12)8-14(26)20(13)22(30)31-11/h8,11,15,17-19,26-28H,6-7,9-10H2,1-5H3/t11-,15+,17-,18+,19-,24-,25+/m0/s1
InChIKeyVCNAFGMPMGHLGZ-WJBURNOASA-N
XLogP2.55
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (1R,6S,14R,15S,17R,20R,22S)-10,15,20-trihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10-triene-8,19-dione with MolForge

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Related Compounds

[(1R,6S,14R,15S,17R,20R,22S)-10,15-dihydroxy-6,14,18,18,22-pentamethyl-8,19-dioxo-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10-trien-20-yl] acetate
CID 46894043
(1S,6R,14R,15S,17R,22S)-10,15-dihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10-triene-8,19-dione
CID 102194063
2,10,15-trihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10,20-tetraene-8,19-dione
CID 163116017
11-chloro-10,15-dihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3,9,11-triene-8,19-dione
CID 162815906
11,20,21-trichloro-10,15-dihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3,9,11-triene-8,19-dione
CID 163111675
(1S,5R,6R,14R,15S,17R,19S,22S)-5,10,15,19-tetrahydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10,20-tetraen-8-one
CID 156583058
5,10,15,19-tetrahydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10,20-tetraen-8-one
CID 163109875
[(1R,6S,14R,15S,17R,20R,22S)-20-acetyloxy-6,14,18,18,22-pentamethyl-8,19-dioxo-10-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxy-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3,9,11-trien-15-yl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 46844228
5,12-dihydroxy-2,8,8,10-tetramethyl-1,2-dihydronaphtho[7,6-f]isochromene-4,9,11-trione
CID 162904198
8-hydroxy-5,6-dimethoxy-3-methyl-3,4-dihydroisochromen-1-one
CID 15677559
3-hydroxy-5-methoxy-2,2,8-trimethyl-3,4,7,8-tetrahydropyrano[4,3-h]chromen-10-one
CID 131752232
5-bromo-8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one
CID 11687510

Frequently Asked Questions

What is the IUPAC name of (1R,6S,14R,15S,17R,20R,22S)-10,15,20-trihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10-triene-8,19-dione?
The IUPAC name of (1R,6S,14R,15S,17R,20R,22S)-10,15,20-trihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10-triene-8,19-dione (CID 46844355) is (1R,6S,14R,15S,17R,20R,22S)-10,15,20-trihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10-triene-8,19-dione.
What is the SMILES notation for (1R,6S,14R,15S,17R,20R,22S)-10,15,20-trihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10-triene-8,19-dione?
The canonical SMILES for (1R,6S,14R,15S,17R,20R,22S)-10,15,20-trihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10-triene-8,19-dione is C[C@H]1Cc2c3c(cc(O)c2C(=O)O1)O[C@]1(C)[C@H](C3)[C@@]2(C)C[C@@H](O)C(=O)C(C)(C)[C@@H]2C[C@@H]1O.
What is the InChIKey of (1R,6S,14R,15S,17R,20R,22S)-10,15,20-trihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10-triene-8,19-dione?
The InChIKey is VCNAFGMPMGHLGZ-WJBURNOASA-N. The full InChI is InChI=1S/C25H32O7/c1-11-6-13-12-7-18-24(4)10-15(27)21(29)23(2,3)17(24)9-19(28)25(18,5)32-16(12)8-14(26)20(13)22(30)31-11/h8,11,15,17-19,26-28H,6-7,9-10H2,1-5H3/t11-,15+,17-,18+,19-,24-,25+/m0/s1.
What are the key properties of (1R,6S,14R,15S,17R,20R,22S)-10,15,20-trihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10-triene-8,19-dione?
(1R,6S,14R,15S,17R,20R,22S)-10,15,20-trihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10-triene-8,19-dione has a molecular weight of 444.52 g/mol, XLogP of 2.55, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S,14R,15S,17R,20R,22S)-10,15,20-trihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10-triene-8,19-dione is sourced from PubChem (CID 46844355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).