Products 72902-38-6

CAS 72902-38-6 appears in our catalog under these names: Mertansine Impurity 4, 20–O–Demethyl–AP3, PDM-3, 95%, 95%, 20-O-Demethyl-AP3. Offered by: Hubei YoungXin, GLPBio, Chemat, MedChemExpress. Available pack sizes: 10mg, 25mg, 50mg, 100mg, 200mg, 1mg, Get quote.

Mertansine Impurity 4
Hubei YoungXin
  • size: 10mg, 25mg, 50mg, 100mg
  • Variants: 5
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20–O–Demethyl–AP3
GLPBio
  • size: 1mg
  • Variants: 1
from 1608.03
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PDM-3, 95%, 95%
Chemat
  • size: 10mg
  • Variants: 1
from 3506.00
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20-O-Demethyl-AP3
MedChemExpress
  • size: Get quote
  • Variants: 1
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Structural formula: {0} (CAS {1})

[(1S,2R,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-12,21-dihydroxy-20-methoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-methylpropanoate (CAS 72902-38-6) is a chemical compound with the molecular formula C31H41ClN2O9 and a molecular weight of 621.1 g/mol. IUPAC name: [(1S,2R,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-12,21-dihydroxy-20-methoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-methylpropanoate. InChIKey: YQVKSZNVVCIETH-AJWAOHEYSA-N.

Identity
Molecular formulaC31H41ClN2O9
Molecular weight621.1 g/mol
IUPAC name[(1S,2R,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-12,21-dihydroxy-20-methoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-methylpropanoate
InChIKeyYQVKSZNVVCIETH-AJWAOHEYSA-N
SMILESC[C@@H]1[C@@H]2C[C@]([C@@H](/C=C\C=C(/CC3=CC(=C(C(=C3)O)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)C(C)C)C)\C)OC)(NC(=O)O2)O

Computed by PubChem (NCBI)

Synonyms: ANSAMITOCIN DERIV
Isomers (same molecular formula)
[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,16-trimethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-methylpropanoate C31H41ClN2O9