Chemical ID: 5759807

CC(=NOC)C1C(=NOC)CC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C)C)C
Chemical ID:
5759807
Name [?]:
[16-methoxyimino-17-(1-methoxyiminoethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
SMILES [?]:
CC(=NOC)C1C(=NOC)CC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C)C)C
InChi [?]:
InChI=1/C25H40N2O4/c1-15(26-29-5)23-22(27-30-6)14-21-19-8-7-17-13-18(31-16(2)28)9-11-24(17,3)20(19)10-12-25(21,23)4/h17-21,23H,7-14H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,29,30,31,5,10,19,18,23,15,22,14,25,11,2,27,20,24,17,16,12,7,6,21,13,3,8,28,4,9,26/rA:31cCCNOCCCNOCCCCCCCCCCCCCCCCOCOCCC/rB:s1;w2;s3;s4;s2;s6;w7;s8;s9;s7;s11;s6s12;s13;s14;s15;s12s16;s17;s18;s19;s16s20;s21;s22;s23;s20s24;s24;s26;d27;s27;s21;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H40N2O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:8
ZAP Information [?]
Total:11.9188
Area:644.705
Solvation:-4.19881
Coulombic:-26.0561
Bond Count [?]
All:34
Single:31
Double:3
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:432.596
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:6.76
LogP (Chemaxon):5.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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