Aspidospermidin-21-oic acid, 3,4-didehydro-19-hydroxy-16,17-dimethoxy-1-methyl-15-[(3aS,7R)-2,3,5,6-tetrahydro-11-hydroxy-4-methyl-1,13-dioxo-1H-3a,7-methanopyrrolo[1,2-a][1,3]benzodiazocin-7(4H)-yl]-, γ-lactone

CAS Registry Number®

16625-20-0

CAS Name

Aspidospermidin-21-oic acid, 3,4-didehydro-19-hydroxy-16,17-dimethoxy-1-methyl-15-[(3aS,7R)-2,3,5,6-tetrahydro-11-hydroxy-4-methyl-1,13-dioxo-1H-3a,7-methanopyrrolo[1,2-a][1,3]benzodiazocin-7(4H)-yl]-, γ-lactone

Molecular Formula

C37H40N4O7

Molecular Mass

652.74

Cite this Page

Aspidospermidin-21-oic acid, 3,4-didehydro-19-hydroxy-16,17-dimethoxy-1-methyl-15-[(3aS,7R)-2,3,5,6-tetrahydro-11-hydroxy-4-methyl-1,13-dioxo-1H-3a,7-methanopyrrolo[1,2-a][1,3]benzodiazocin-7(4H)-yl]-, γ-lactone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16625-20-0 (retrieved 2024-12-23) (CAS RN: 16625-20-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H40N4O7/c1-38-17-14-34(21-7-5-8-24(42)28(21)41-26(43)10-13-36(38,41)32(34)45)23-19-22-29(31(47-4)30(23)46-3)39(2)25-9-12-33-11-6-16-40-18-15-35(22,25)37(33,40)48-27(44)20-33/h5,7-9,12,19,25,42H,6,10-11,13-18,20H2,1-4H3/t25-,33-,34-,35-,36+,37+/m1/s1

InChIKey

InChIKey=SFSFAWRKKRGBKI-ZLEWMSNTSA-N

SMILES

CN1[C@]2([C@]3([C@]45[C@](C=C2)(CC(=O)O4)CCCN5CC3)C=6C1=C(OC)C(OC)=C(C6)[C@@]78C=9C(N%10[C@@](C7=O)(N(C)CC8)CCC%10=O)=C(O)C=CC9)[H]

Canonical SMILES

O=C1OC23N4CCCC3(C=CC5N(C6=C(OC)C(OC)=C(C=C6C52CC4)C78C(=O)C9(N(C(=O)CC9)C=%10C(O)=CC=CC%107)N(C)CC8)C)C1

Other Names for this Substance

  • Aspidospermidin-21-oic acid, 3,4-didehydro-19-hydroxy-16,17-dimethoxy-1-methyl-15-[(3aS,7R)-2,3,5,6-tetrahydro-11-hydroxy-4-methyl-1,13-dioxo-1H-3a,7-methanopyrrolo[1,2-a][1,3]benzodiazocin-7(4H)-yl]-, γ-lactone
  • Haplophytine
  • Aspidospermidin-21-oic acid, 3,4-didehydro-19-hydroxy-16,17-dimethoxy-1-methyl-15-(2,3,5,6-tetrahydro-11-hydroxy-4-methyl-1,13-dioxo-1H-3a,7-methanopyrrolo[1,2-a][1,3]benzodiazocin-7(4H)-yl)-, γ-lactone, [15(3aS,7R)]-
  • 13a,3a-(Epoxyethano)-1H-indolizino[8,1-cd]carbazole, aspidospermidin-21-oic acid deriv.
  • 1H-3a,7-Methanopyrrolo[1,2-a][1,3]benzodiazocine, aspidospermidin-21-oic acid deriv.

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Deleted or Replaced CAS Registry Numbers

1357-37-5, 698963-80-3

CAS INSIGHTSTM
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