Compound C63H98O6

2,3-bis[(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-1-carbonyl)oxy]propyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-1-carboxylate

CAS: 125-93-9

Molecular Formula	`C63H98O6`
Molecular Weight	951.4 g/mol
LogP	17.2
Topological Polar Surface Area	78.9 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	14
Exact Mass	950.7363
Heavy Atoms	69
Complexity	1950.0

Chemical Identifiers

CAS Number	125-93-9
SMILES	`CC(C)C1CCC2C(=C1)CCC3C2(CCCC3(C)C(=O)OCC(COC(=O)C4(CCCC5(C4CCC6=CC(CCC65)C(C)C)C)C)OC(=O)C7(CCCC8(C7CCC9=CC(CCC98)C(C)C)C)C)C`
InChIKey	`KZAOFYDFGRIAQU-UHFFFAOYSA-N`

📖 Product Overview

Compound C63H98O6 (CAS: 125-93-9) is a chemical compound with molecular formula C63H98O6 and molecular weight 951.4 g/mol. Its IUPAC systematic name is 2,3-bis[(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-1-carbonyl)oxy]propyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthrene-1-carboxylate. LogP 17.2 Topological Polar Surface Area 78.9 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 14 Exact Mass 950.7363 Heavy Atoms 69 Complexity 1950.0 InChI Key: KZAOFYDFGRIAQU-UHFFFAOYSA-N. SMILES: CC(C)C1CCC2C(=C1)CCC3C2(CCCC3(C)C(=O)OCC(COC(=O)C4(CCCC5(C4CCC6=CC(CCC65)C(C)C)C)C)OC(=O)C7(CCCC8(C7CCC9=CC(CCC98)C(C)C)C)C)C.

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