(13'-acetyloxy-9',14'-dihydroxy-2,2',6',6'-tetramethyl-5',11'-dioxospiro[cyclopropane-1,12'-tetracyclo[8.4.0.02,7.03,14]tetradec-1(10)-ene]-8'-yl) acetate

C24H30O8 — CID 4552822

IUPAC(13'-acetyloxy-9',14'-dihydroxy-2,2',6',6'-tetramethyl-5',11'-dioxospiro[cyclopropane-1,12'-tetracyclo[8.4.0.02,7.03,14]tetradec-1(10)-ene]-8'-yl) acetate
SMILESCC(=O)OC1C(O)C2=C3C4(C)C1C(C)(C)C(=O)CC4C3(O)C(OC(C)=O)C1(CC1C)C2=O
InChIInChI=1S/C24H30O8/c1-9-8-23(9)19(29)14-15(28)16(31-10(2)25)18-21(4,5)13(27)7-12-22(18,6)17(14)24(12,30)20(23)32-11(3)26/h9,12,15-16,18,20,28,30H,7-8H2,1-6H3
InChIKeyKJZXTHWPZAGWHW-UHFFFAOYSA-N
MW446.50 g/mol
LogP1.11
Rot. Bonds2

About (13'-acetyloxy-9',14'-dihydroxy-2,2',6',6'-tetramethyl-5',11'-dioxospiro[cyclopropane-1,12'-tetracyclo[8.4.0.02,7.03,14]tetradec-1(10)-ene]-8'-yl) acetate

(13'-acetyloxy-9',14'-dihydroxy-2,2',6',6'-tetramethyl-5',11'-dioxospiro[cyclopropane-1,12'-tetracyclo[8.4.0.02,7.03,14]tetradec-1(10)-ene]-8'-yl) acetate (PubChem CID 4552822) has the molecular formula C24H30O8 and a molecular weight of 446.50 g/mol. Its IUPAC name is (13'-acetyloxy-9',14'-dihydroxy-2,2',6',6'-tetramethyl-5',11'-dioxospiro[cyclopropane-1,12'-tetracyclo[8.4.0.02,7.03,14]tetradec-1(10)-ene]-8'-yl) acetate.

Molecular Properties

Compound Name(13'-acetyloxy-9',14'-dihydroxy-2,2',6',6'-tetramethyl-5',11'-dioxospiro[cyclopropane-1,12'-tetracyclo[8.4.0.02,7.03,14]tetradec-1(10)-ene]-8'-yl) acetate
PubChem CID4552822
Molecular FormulaC24H30O8
Molecular Weight446.50 g/mol
Exact Mass446.19
IUPAC Name(13'-acetyloxy-9',14'-dihydroxy-2,2',6',6'-tetramethyl-5',11'-dioxospiro[cyclopropane-1,12'-tetracyclo[8.4.0.02,7.03,14]tetradec-1(10)-ene]-8'-yl) acetate
SMILESCC(=O)OC1C(O)C2=C3C4(C)C1C(C)(C)C(=O)CC4C3(O)C(OC(C)=O)C1(CC1C)C2=O
InChIInChI=1S/C24H30O8/c1-9-8-23(9)19(29)14-15(28)16(31-10(2)25)18-21(4,5)13(27)7-12-22(18,6)17(14)24(12,30)20(23)32-11(3)26/h9,12,15-16,18,20,28,30H,7-8H2,1-6H3
InChIKeyKJZXTHWPZAGWHW-UHFFFAOYSA-N
XLogP1.11
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (13'-acetyloxy-9',14'-dihydroxy-2,2',6',6'-tetramethyl-5',11'-dioxospiro[cyclopropane-1,12'-tetracyclo[8.4.0.02,7.03,14]tetradec-1(10)-ene]-8'-yl) acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (13'-acetyloxy-9',14'-dihydroxy-2,2',6',6'-tetramethyl-5',11'-dioxospiro[cyclopropane-1,12'-tetracyclo[8.4.0.02,7.03,14]tetradec-1(10)-ene]-8'-yl) acetate?
The IUPAC name of (13'-acetyloxy-9',14'-dihydroxy-2,2',6',6'-tetramethyl-5',11'-dioxospiro[cyclopropane-1,12'-tetracyclo[8.4.0.02,7.03,14]tetradec-1(10)-ene]-8'-yl) acetate (CID 4552822) is (13'-acetyloxy-9',14'-dihydroxy-2,2',6',6'-tetramethyl-5',11'-dioxospiro[cyclopropane-1,12'-tetracyclo[8.4.0.02,7.03,14]tetradec-1(10)-ene]-8'-yl) acetate.
What is the SMILES notation for (13'-acetyloxy-9',14'-dihydroxy-2,2',6',6'-tetramethyl-5',11'-dioxospiro[cyclopropane-1,12'-tetracyclo[8.4.0.02,7.03,14]tetradec-1(10)-ene]-8'-yl) acetate?
The canonical SMILES for (13'-acetyloxy-9',14'-dihydroxy-2,2',6',6'-tetramethyl-5',11'-dioxospiro[cyclopropane-1,12'-tetracyclo[8.4.0.02,7.03,14]tetradec-1(10)-ene]-8'-yl) acetate is CC(=O)OC1C(O)C2=C3C4(C)C1C(C)(C)C(=O)CC4C3(O)C(OC(C)=O)C1(CC1C)C2=O.
What is the InChIKey of (13'-acetyloxy-9',14'-dihydroxy-2,2',6',6'-tetramethyl-5',11'-dioxospiro[cyclopropane-1,12'-tetracyclo[8.4.0.02,7.03,14]tetradec-1(10)-ene]-8'-yl) acetate?
The InChIKey is KJZXTHWPZAGWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O8/c1-9-8-23(9)19(29)14-15(28)16(31-10(2)25)18-21(4,5)13(27)7-12-22(18,6)17(14)24(12,30)20(23)32-11(3)26/h9,12,15-16,18,20,28,30H,7-8H2,1-6H3.
What are the key properties of (13'-acetyloxy-9',14'-dihydroxy-2,2',6',6'-tetramethyl-5',11'-dioxospiro[cyclopropane-1,12'-tetracyclo[8.4.0.02,7.03,14]tetradec-1(10)-ene]-8'-yl) acetate?
(13'-acetyloxy-9',14'-dihydroxy-2,2',6',6'-tetramethyl-5',11'-dioxospiro[cyclopropane-1,12'-tetracyclo[8.4.0.02,7.03,14]tetradec-1(10)-ene]-8'-yl) acetate has a molecular weight of 446.50 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (13'-acetyloxy-9',14'-dihydroxy-2,2',6',6'-tetramethyl-5',11'-dioxospiro[cyclopropane-1,12'-tetracyclo[8.4.0.02,7.03,14]tetradec-1(10)-ene]-8'-yl) acetate is sourced from PubChem (CID 4552822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).