(6-acetyloxy-3,7-dihydroxy-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-2-yl) acetate

C17H26O6 — CID 23158088

IUPAC(6-acetyloxy-3,7-dihydroxy-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-2-yl) acetate
SMILESCC(=O)OC1CC2CC3CC(O)C(OC(C)=O)CC3C2CC1O
InChIInChI=1S/C17H26O6/c1-8(18)22-16-5-11-3-10-4-14(20)17(23-9(2)19)7-13(10)12(11)6-15(16)21/h10-17,20-21H,3-7H2,1-2H3
InChIKeyJDMDERHLOVJVMO-UHFFFAOYSA-N
MW326.39 g/mol
LogP1.03
Rot. Bonds2

About (6-acetyloxy-3,7-dihydroxy-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-2-yl) acetate

(6-acetyloxy-3,7-dihydroxy-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-2-yl) acetate (PubChem CID 23158088) has the molecular formula C17H26O6 and a molecular weight of 326.39 g/mol. Its IUPAC name is (6-acetyloxy-3,7-dihydroxy-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-2-yl) acetate.

Molecular Properties

Compound Name(6-acetyloxy-3,7-dihydroxy-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-2-yl) acetate
PubChem CID23158088
Molecular FormulaC17H26O6
Molecular Weight326.39 g/mol
Exact Mass326.17
IUPAC Name(6-acetyloxy-3,7-dihydroxy-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-2-yl) acetate
SMILESCC(=O)OC1CC2CC3CC(O)C(OC(C)=O)CC3C2CC1O
InChIInChI=1S/C17H26O6/c1-8(18)22-16-5-11-3-10-4-14(20)17(23-9(2)19)7-13(10)12(11)6-15(16)21/h10-17,20-21H,3-7H2,1-2H3
InChIKeyJDMDERHLOVJVMO-UHFFFAOYSA-N
XLogP1.03
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-acetyloxy-3,7-dihydroxy-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-2-yl) acetate?
The IUPAC name of (6-acetyloxy-3,7-dihydroxy-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-2-yl) acetate (CID 23158088) is (6-acetyloxy-3,7-dihydroxy-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-2-yl) acetate.
What is the SMILES notation for (6-acetyloxy-3,7-dihydroxy-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-2-yl) acetate?
The canonical SMILES for (6-acetyloxy-3,7-dihydroxy-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-2-yl) acetate is CC(=O)OC1CC2CC3CC(O)C(OC(C)=O)CC3C2CC1O.
What is the InChIKey of (6-acetyloxy-3,7-dihydroxy-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-2-yl) acetate?
The InChIKey is JDMDERHLOVJVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O6/c1-8(18)22-16-5-11-3-10-4-14(20)17(23-9(2)19)7-13(10)12(11)6-15(16)21/h10-17,20-21H,3-7H2,1-2H3.
What are the key properties of (6-acetyloxy-3,7-dihydroxy-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-2-yl) acetate?
(6-acetyloxy-3,7-dihydroxy-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-2-yl) acetate has a molecular weight of 326.39 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-acetyloxy-3,7-dihydroxy-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-2-yl) acetate is sourced from PubChem (CID 23158088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).