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Chemical ID: 6634765
Chemical ID:
6634765
Name [?]:
17-(2-hydroxyacetyl)-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
SMILES [?]:
CC12CCC3C(C1CCC2C(=O)CO)CCC4=CC(=O)CCC34
InChi [?]:
InChI=1/C20H28O3/c1-20-9-8-15-14-5-3-13(22)10-12(14)2-4-16(15)17(20)6-7-18(20)19(23)11-21/h10,14-18,21H,2-9,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,21,15,22,8,9,4,3,18,13,17,19,23,5,6,7,10,11,2,14,20,12/rA:23cCCCCCCCCCCCOCOCCCCCOCCC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s2s9;s10;d11;s11;s13;s6;s15;s16;d17;s18;d19;s19;s21;s5s17s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H28O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 6 |
ZAP Information [?]
Total: | 7.11199 |
Area: | 486.147 |
Solvation: | -5.04168 |
Coulombic: | -31.5587 |
Bond Count [?]
All: | 26 |
Single: | 23 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 316.435 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.29 |
LogP (Chemaxon): | 3.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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