Cas no 87553-37-5 (Haplocidiphytine)

Haplocidiphytine structure
Haplocidiphytine structure
Product Name:Haplocidiphytine
CAS No:87553-37-5
MF:C37H38N4O8
MW:666.719629764557
CID:2063220
Update Time:2025-03-11

Haplocidiphytine Chemical and Physical Properties

Names and Identifiers

    • Haplocidiphytine
    • Aspidospermidin-21-oic acid, 6,7-didehydro-17,19-dihydroxy-16-methoxy-1-(1-oxopropyl)-15-[(3aS,7R)-2,3,5,6-tetrahydro-11-hydroxy-1,13-dioxo-1H-3a,7-methanopyrrolo[1,2-a][1,3]benzodiazocin-7(4H)-yl]-, γ-lactone (9CI)
    • Aspidospermidin-21-oic acid, 6,7-didehydro-17,19-dihydroxy-16-methoxy-1-(1-oxopropyl)-15-[(3aS,7R)-2,3,5,6-tetrahydro-11-hydroxy-1,13-dioxo-1H-3a,7-methanopyrrolo[1,2-a][1,3]benzodiazocin-7(4H)-yl]-, γ-lactone
    • Inchi: 1S/C37H38N4O8/c1-3-25(43)40-24-8-11-33-10-5-16-39-17-14-35(24,37(33,39)49-27(45)19-33)21-18-22(31(48-2)30(46)29(21)40)34-13-15-38-36(32(34)47)12-9-26(44)41(36)28-20(34)6-4-7-23(28)42/h4-7,10,18,24,38,42,46H,3,8-9,11-17,19H2,1-2H3
    • InChI Key: NZMGEZAQKYJJHP-UHFFFAOYSA-N
    • SMILES: CCC(N1C2C(=CC(C34C(=O)C5(N(C6C3=CC=CC=6O)C(=O)CC5)NCC4)=C(C=2O)OC)C23C45C(C=CCN4CC2)(CC(O5)=O)CCC13)=O

Experimental Properties

  • Density: 1.59±0.1 g/cm3(Predicted)
  • pka: 9.05±0.40(Predicted)
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