2-[3-[21-[(3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3,5,7,23,35-pentamethyl-4,12,14,16,18,20,24,28,32,36-decakis(oxidanyl)-38-oxidanylidene-37-pentyl-1-oxacyclooctatriaconta-6,22-dien-2-yl]propyl]guanidine

Systemtic Name: 2-[3-[21-[(3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3,5,7,23,35-pentamethyl-4,12,14,16,18,20,24,28,32,36-decakis(oxidanyl)-38-oxidanylidene-37-pentyl-1-oxacyclooctatriaconta-6,22-dien-2-yl]propyl]guanidine Openeye Name: 2-[3-[21-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-4,12,14,16,18,20,24,28,32,36-decahydroxy-3,5,7,23,35-pentamethyl-38-oxo-37-pentyl-1-oxacyclooctatriaconta-6,22-dien-2-yl]propyl]guanidine CAS Name: 2-[3-[21-[[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-4,12,14,16,18,20,24,28,32,36-decahydroxy-3,5,7,23,35-pentamethyl-38-oxo-37-pentyl-1-oxacyclooctatriaconta-6,22-dien-2-yl]propyl]guanidine IUPAC Name: 2-[3-[21-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,12,14,16,18,20,24,28,32,36-decahydroxy-3,5,7,23,35-pentamethyl-38-oxo-37-pentyl-1-oxacyclooctatriaconta-6,22-dien-2-yl]propyl]guanidine Traditional Name: 2-[3-[37-amyl-21-[(3S,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]oxy-4,12,14,16,18,20,24,28,32,36-decahydroxy-38-keto-3,5,7,23,35-pentamethyl-1-oxacyclooctatriaconta-6,22-dien-2-yl]propyl]guanidine Formula: C56H105N3O17 MolecularWeight: 1092.4428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(C(CCC(CCCC(CCCC(C(=CC(C(CC(CC(CC(CC(CCCCC(=CC(C(C(C(OC1=O)CCCN=C(N)N)C)O)C)C)O)O)O)O)O)OC2C(C(C(O2)CO)O)O)C)O)O)O)C)O

Isomeric SMILES

CCCCCC1C(C(CCC(CCCC(CCCC(C(=CC(C(CC(CC(CC(CC(CCCCC(=CC(C(C(C(OC1=O)CCCN=C(N)N)C)O)C)C)O)O)O)O)O)OC2[C@H]([C@@H]([C@H](O2)CO)O)O)C)O)O)O)C)O

InChI

InChI=1S/C56H105N3O17/c1-7-8-9-20-44-51(70)34(3)23-24-39(62)18-12-17-38(61)19-13-21-45(67)35(4)27-48(75-55-53(72)52(71)49(32-60)76-55)46(68)31-43(66)30-42(65)29-41(64)28-40(63)16-11-10-15-33(2)26-36(5)50(69)37(6)47(74-54(44)73)22-14-25-59-56(57)58/h26-27,34,36-53,55,60-72H,7-25,28-32H2,1-6H3,(H4,57,58,59)/t34?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49-,50?,51?,52-,53+,55?/m1/s1