Chemical ID: 6679051

CC(CC(=O)OC)C1CCC2C1(C(=O)CC3C2CCC4C3(CCC(C4)OC(=O)CCC(=O)O)C)C
Chemical ID:
6679051
Name [?]:
4-[[17-(2-methoxycarbonyl-1-methyl-ethyl)-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxo-butanoic acid
SMILES [?]:
CC(CC(=O)OC)C1CCC2C1(C(=O)CC3C2CCC4C3(CCC(C4)OC(=O)CCC(=O)O)C)C
InChi [?]:
InChI=1/C28H42O7/c1-16(13-26(33)34-4)20-7-8-21-19-6-5-17-14-18(35-25(32)10-9-24(30)31)11-12-27(17,2)22(19)15-23(29)28(20,21)3/h16-22H,5-15H2,1-4H3,(H,30,31)
InChi Info:
AuxInfo=1/1/N:1,34,35,7,19,18,9,10,30,29,23,22,3,25,15,2,20,24,17,8,11,16,13,31,27,4,21,12,14,32,33,28,5,6,26/E:(30,31)/rA:35cCCCCOOCCCCCCCOCCCCCCCCCCCOCOCCCOOCC/rB:s1;s2;s3;d4;s4;s6;s2;s8;s9;s10;s8s11;s12;d13;s13;s15;s11s16;s17;s18;s19;s16s20;s21;s22;s23;s20s24;s24;s26;d27;s27;s29;s30;d31;s31;s21;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H42O7
All Atoms:35
Heavy Atoms:35
Chiral Atoms:9
ZAP Information [?]
Total:12.499
Area:713.342
Solvation:-5.33458
Coulombic:-69.6208
Bond Count [?]
All:38
Single:34
Double:4
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:490.629
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:5.01
LogP (Chemaxon):4.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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