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Chemical ID: 6634091
Chemical ID:
6634091
Name [?]:
17-(1-hydroxyethyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
SMILES [?]:
CC(C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C)O
InChi [?]:
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-14,16-19,22H,4-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,22,13,12,4,5,17,9,16,8,20,2,14,18,11,3,6,10,15,7,23,19/rA:23cCCCCCCCCCCCCCCCCCCOCCCO/rB:s1;s2;s3;s4;s5;s3s6;s7;s8;s9;s6s10;s11;s12;s13;s10s14;s15;s16;s17;d18;s14s18;s15;s7;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H34O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 8 |
ZAP Information [?]
Total: | 9.37158 |
Area: | 478.238 |
Solvation: | -2.58436 |
Coulombic: | -25.653 |
Bond Count [?]
All: | 26 |
Single: | 25 |
Double: | 1 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 318.493 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.73 |
LogP (Chemaxon): | 4.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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