[(3R,4S,11R,17Z)-17-[1-[5-(3-azanylpropylamino)pentylamino]-6-methyl-1-oxidanylidene-hept-5-en-2-ylidene]-4-methyl-3,11-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-hexadecahydrocyclopenta[a]phenanthren-16-yl] ethanoate

Systemtic Name: [(3R,4S,11R,17Z)-17-[1-[5-(3-azanylpropylamino)pentylamino]-6-methyl-1-oxidanylidene-hept-5-en-2-ylidene]-4-methyl-3,11-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-hexadecahydrocyclopenta[a]phenanthren-16-yl] ethanoate Openeye Name: [(3R,4S,11R,17Z)-17-[1-[5-(3-aminopropylamino)pentylcarbamoyl]-5-methyl-hex-4-enylidene]-3,11-dihydroxy-4-methyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-hexadecahydrocyclopenta[a]phenanthren-16-yl] acetate CAS Name: acetic acid [(3R,4S,11R,17Z)-17-[1-[5-(3-aminopropylamino)pentylamino]-6-methyl-1-oxohept-5-en-2-ylidene]-3,11-dihydroxy-4-methyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-hexadecahydrocyclopenta[a]phenanthren-16-yl] ester IUPAC Name: [(3R,4S,11R,17Z)-17-[1-[5-(3-aminopropylamino)pentylamino]-6-methyl-1-oxohept-5-en-2-ylidene]-3,11-dihydroxy-4-methyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-hexadecahydrocyclopenta[a]phenanthren-16-yl] acetate Traditional Name: acetic acid [(3R,4S,11R,17Z)-17-[1-[5-(3-aminopropylamino)pentylcarbamoyl]-5-methyl-hex-4-enylidene]-3,11-dihydroxy-4-methyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-hexadecahydrocyclopenta[a]phenanthren-16-yl] ester Formula: C36H61N3O5 MolecularWeight: 615.88664

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CCC3C4CC(C(=C(CCC=C(C)C)C(=O)NCCCCCNCCCN)C4CC(C3C2CCC1O)O)OC(=O)C

Isomeric SMILES

C[C@@H]1[C@@H](CCC2C1CCC3C2[C@@H](CC\4C3CC(/C4=C(/CCC=C(C)C)\C(=O)NCCCCCNCCCN)OC(=O)C)O)O

InChI

InChI=1S/C36H61N3O5/c1-22(2)10-8-11-28(36(43)39-19-7-5-6-17-38-18-9-16-37)35-30-20-32(42)34-26-14-15-31(41)23(3)25(26)12-13-27(34)29(30)21-33(35)44-24(4)40/h10,23,25-27,29-34,38,41-42H,5-9,11-21,37H2,1-4H3,(H,39,43)/b35-28-/t23-,25?,26?,27?,29?,30?,31+,32+,33?,34?/m0/s1