[3-[2-[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-ethanoyl-10-methoxy-3,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]amino]-2-oxidanylidene-ethanoyl]oxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] (Z)-octadec-9-enoate

Systemtic Name: [3-[2-[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-ethanoyl-10-methoxy-3,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]amino]-2-oxidanylidene-ethanoyl]oxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] (Z)-octadec-9-enoate Openeye Name: [3-[2-[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]amino]-2-oxo-acetyl]oxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] (Z)-octadec-9-enoate CAS Name: (Z)-9-octadecenoic acid [3-[2-[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-4-oxanyl]amino]-1,2-dioxoethoxy]-2-[(Z)-1-oxooctadec-9-enoxy]propyl] ester IUPAC Name: [3-[2-[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]amino]-2-oxoacetyl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate Traditional Name: (Z)-octadec-9-enoic acid [3-[2-[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-diketo-10-methoxy-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]amino]-2-keto-acetyl]oxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] ester Formula: C68H99NO17 MolecularWeight: 1202.51016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)C(=O)NC1CC(OC(C1O)C)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)C(=O)N[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)OC(=O)CCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C68H99NO17/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-39-54(71)82-44-48(85-55(72)40-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)45-83-67(79)66(78)69-51-41-56(84-46(3)61(51)73)86-53-43-68(80,47(4)70)42-50-58(53)65(77)60-59(63(50)75)62(74)49-37-36-38-52(81-5)57(49)64(60)76/h20-23,36-38,46,48,51,53,56,61,73,75,77,80H,6-19,24-35,39-45H2,1-5H3,(H,69,78)/b22-20-,23-21-/t46-,48?,51-,53-,56-,61+,68-/m0/s1