(17Z,19Z,21Z,23Z,25Z)-3-ethyl-4,6,10,12,14,16-hexahydroxy-15,27,28-trimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one

C32H52O8 — CID 6443657

IUPAC(17Z,19Z,21Z,23Z,25Z)-3-ethyl-4,6,10,12,14,16-hexahydroxy-15,27,28-trimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
SMILESCCC1C(=O)OC(C)C(C)/C=C\C=C/C=C\C=C/C=C\C(O)C(C)C(O)CC(O)CC(O)CCCC(O)CC1O
InChIInChI=1S/C32H52O8/c1-5-28-31(38)20-26(34)17-14-16-25(33)19-27(35)21-30(37)23(3)29(36)18-13-11-9-7-6-8-10-12-15-22(2)24(4)40-32(28)39/h6-13,15,18,22-31,33-38H,5,14,16-17,19-21H2,1-4H3/b7-6-,10-8-,11-9-,15-12-,18-13-
InChIKeyJJDUHQRKYHRVNV-DISGBCGLSA-N
MW564.76 g/mol
LogP3.52
Rot. Bonds1

About (17Z,19Z,21Z,23Z,25Z)-3-ethyl-4,6,10,12,14,16-hexahydroxy-15,27,28-trimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one

(17Z,19Z,21Z,23Z,25Z)-3-ethyl-4,6,10,12,14,16-hexahydroxy-15,27,28-trimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one (PubChem CID 6443657) has the molecular formula C32H52O8 and a molecular weight of 564.76 g/mol. Its IUPAC name is (17Z,19Z,21Z,23Z,25Z)-3-ethyl-4,6,10,12,14,16-hexahydroxy-15,27,28-trimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one.

Molecular Properties

Compound Name(17Z,19Z,21Z,23Z,25Z)-3-ethyl-4,6,10,12,14,16-hexahydroxy-15,27,28-trimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
PubChem CID6443657
Molecular FormulaC32H52O8
Molecular Weight564.76 g/mol
Exact Mass564.37
IUPAC Name(17Z,19Z,21Z,23Z,25Z)-3-ethyl-4,6,10,12,14,16-hexahydroxy-15,27,28-trimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
SMILESCCC1C(=O)OC(C)C(C)/C=C\C=C/C=C\C=C/C=C\C(O)C(C)C(O)CC(O)CC(O)CCCC(O)CC1O
InChIInChI=1S/C32H52O8/c1-5-28-31(38)20-26(34)17-14-16-25(33)19-27(35)21-30(37)23(3)29(36)18-13-11-9-7-6-8-10-12-15-22(2)24(4)40-32(28)39/h6-13,15,18,22-31,33-38H,5,14,16-17,19-21H2,1-4H3/b7-6-,10-8-,11-9-,15-12-,18-13-
InChIKeyJJDUHQRKYHRVNV-DISGBCGLSA-N
XLogP3.52
TPSA147.68 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.76
LogP ≤ 53.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze (17Z,19Z,21Z,23Z,25Z)-3-ethyl-4,6,10,12,14,16-hexahydroxy-15,27,28-trimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (17Z,19Z,21Z,23Z,25Z)-3-ethyl-4,6,10,12,14,16-hexahydroxy-15,27,28-trimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one?
The IUPAC name of (17Z,19Z,21Z,23Z,25Z)-3-ethyl-4,6,10,12,14,16-hexahydroxy-15,27,28-trimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one (CID 6443657) is (17Z,19Z,21Z,23Z,25Z)-3-ethyl-4,6,10,12,14,16-hexahydroxy-15,27,28-trimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one.
What is the SMILES notation for (17Z,19Z,21Z,23Z,25Z)-3-ethyl-4,6,10,12,14,16-hexahydroxy-15,27,28-trimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one?
The canonical SMILES for (17Z,19Z,21Z,23Z,25Z)-3-ethyl-4,6,10,12,14,16-hexahydroxy-15,27,28-trimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one is CCC1C(=O)OC(C)C(C)/C=C\C=C/C=C\C=C/C=C\C(O)C(C)C(O)CC(O)CC(O)CCCC(O)CC1O.
What is the InChIKey of (17Z,19Z,21Z,23Z,25Z)-3-ethyl-4,6,10,12,14,16-hexahydroxy-15,27,28-trimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one?
The InChIKey is JJDUHQRKYHRVNV-DISGBCGLSA-N. The full InChI is InChI=1S/C32H52O8/c1-5-28-31(38)20-26(34)17-14-16-25(33)19-27(35)21-30(37)23(3)29(36)18-13-11-9-7-6-8-10-12-15-22(2)24(4)40-32(28)39/h6-13,15,18,22-31,33-38H,5,14,16-17,19-21H2,1-4H3/b7-6-,10-8-,11-9-,15-12-,18-13-.
What are the key properties of (17Z,19Z,21Z,23Z,25Z)-3-ethyl-4,6,10,12,14,16-hexahydroxy-15,27,28-trimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one?
(17Z,19Z,21Z,23Z,25Z)-3-ethyl-4,6,10,12,14,16-hexahydroxy-15,27,28-trimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one has a molecular weight of 564.76 g/mol, XLogP of 3.52, 1 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (17Z,19Z,21Z,23Z,25Z)-3-ethyl-4,6,10,12,14,16-hexahydroxy-15,27,28-trimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one is sourced from PubChem (CID 6443657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).