(6S,10S,12Z,15S)-8,8,15,19,21-pentamethyl-7,9,16-trioxatetracyclo[16.4.0.02,4.06,10]docosa-1(22),12,18,20-tetraene-11,17-dione

C24H30O5 — CID 58304724

IUPAC(6S,10S,12Z,15S)-8,8,15,19,21-pentamethyl-7,9,16-trioxatetracyclo[16.4.0.02,4.06,10]docosa-1(22),12,18,20-tetraene-11,17-dione
SMILESCc1cc(C)c2c(c1)C1CC1C[C@@H]1OC(C)(C)O[C@@H]1C(=O)/C=C\C[C@H](C)OC2=O
InChIInChI=1S/C24H30O5/c1-13-9-14(2)21-18(10-13)17-11-16(17)12-20-22(29-24(4,5)28-20)19(25)8-6-7-15(3)27-23(21)26/h6,8-10,15-17,20,22H,7,11-12H2,1-5H3/b8-6-/t15-,16?,17?,20-,22+/m0/s1
InChIKeyJFCCIFCBQLQTMN-OBZLVKAASA-N
MW398.50 g/mol
LogP4.39
Rot. Bonds

About (6S,10S,12Z,15S)-8,8,15,19,21-pentamethyl-7,9,16-trioxatetracyclo[16.4.0.02,4.06,10]docosa-1(22),12,18,20-tetraene-11,17-dione

(6S,10S,12Z,15S)-8,8,15,19,21-pentamethyl-7,9,16-trioxatetracyclo[16.4.0.02,4.06,10]docosa-1(22),12,18,20-tetraene-11,17-dione (PubChem CID 58304724) has the molecular formula C24H30O5 and a molecular weight of 398.50 g/mol. Its IUPAC name is (6S,10S,12Z,15S)-8,8,15,19,21-pentamethyl-7,9,16-trioxatetracyclo[16.4.0.02,4.06,10]docosa-1(22),12,18,20-tetraene-11,17-dione.

Molecular Properties

Compound Name(6S,10S,12Z,15S)-8,8,15,19,21-pentamethyl-7,9,16-trioxatetracyclo[16.4.0.02,4.06,10]docosa-1(22),12,18,20-tetraene-11,17-dione
PubChem CID58304724
Molecular FormulaC24H30O5
Molecular Weight398.50 g/mol
Exact Mass398.21
IUPAC Name(6S,10S,12Z,15S)-8,8,15,19,21-pentamethyl-7,9,16-trioxatetracyclo[16.4.0.02,4.06,10]docosa-1(22),12,18,20-tetraene-11,17-dione
SMILESCc1cc(C)c2c(c1)C1CC1C[C@@H]1OC(C)(C)O[C@@H]1C(=O)/C=C\C[C@H](C)OC2=O
InChIInChI=1S/C24H30O5/c1-13-9-14(2)21-18(10-13)17-11-16(17)12-20-22(29-24(4,5)28-20)19(25)8-6-7-15(3)27-23(21)26/h6,8-10,15-17,20,22H,7,11-12H2,1-5H3/b8-6-/t15-,16?,17?,20-,22+/m0/s1
InChIKeyJFCCIFCBQLQTMN-OBZLVKAASA-N
XLogP4.39
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6S,10S,12Z,15S)-8,8,15,19,21-pentamethyl-7,9,16-trioxatetracyclo[16.4.0.02,4.06,10]docosa-1(22),12,18,20-tetraene-11,17-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S,10S,12Z,15S)-8,8,15,19,21-pentamethyl-7,9,16-trioxatetracyclo[16.4.0.02,4.06,10]docosa-1(22),12,18,20-tetraene-11,17-dione?
The IUPAC name of (6S,10S,12Z,15S)-8,8,15,19,21-pentamethyl-7,9,16-trioxatetracyclo[16.4.0.02,4.06,10]docosa-1(22),12,18,20-tetraene-11,17-dione (CID 58304724) is (6S,10S,12Z,15S)-8,8,15,19,21-pentamethyl-7,9,16-trioxatetracyclo[16.4.0.02,4.06,10]docosa-1(22),12,18,20-tetraene-11,17-dione.
What is the SMILES notation for (6S,10S,12Z,15S)-8,8,15,19,21-pentamethyl-7,9,16-trioxatetracyclo[16.4.0.02,4.06,10]docosa-1(22),12,18,20-tetraene-11,17-dione?
The canonical SMILES for (6S,10S,12Z,15S)-8,8,15,19,21-pentamethyl-7,9,16-trioxatetracyclo[16.4.0.02,4.06,10]docosa-1(22),12,18,20-tetraene-11,17-dione is Cc1cc(C)c2c(c1)C1CC1C[C@@H]1OC(C)(C)O[C@@H]1C(=O)/C=C\C[C@H](C)OC2=O.
What is the InChIKey of (6S,10S,12Z,15S)-8,8,15,19,21-pentamethyl-7,9,16-trioxatetracyclo[16.4.0.02,4.06,10]docosa-1(22),12,18,20-tetraene-11,17-dione?
The InChIKey is JFCCIFCBQLQTMN-OBZLVKAASA-N. The full InChI is InChI=1S/C24H30O5/c1-13-9-14(2)21-18(10-13)17-11-16(17)12-20-22(29-24(4,5)28-20)19(25)8-6-7-15(3)27-23(21)26/h6,8-10,15-17,20,22H,7,11-12H2,1-5H3/b8-6-/t15-,16?,17?,20-,22+/m0/s1.
What are the key properties of (6S,10S,12Z,15S)-8,8,15,19,21-pentamethyl-7,9,16-trioxatetracyclo[16.4.0.02,4.06,10]docosa-1(22),12,18,20-tetraene-11,17-dione?
(6S,10S,12Z,15S)-8,8,15,19,21-pentamethyl-7,9,16-trioxatetracyclo[16.4.0.02,4.06,10]docosa-1(22),12,18,20-tetraene-11,17-dione has a molecular weight of 398.50 g/mol, XLogP of 4.39, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,10S,12Z,15S)-8,8,15,19,21-pentamethyl-7,9,16-trioxatetracyclo[16.4.0.02,4.06,10]docosa-1(22),12,18,20-tetraene-11,17-dione is sourced from PubChem (CID 58304724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).