(-)-Triptonine B

CAS Registry Number®

168009-85-6

CAS Name

(-)-Triptonine B

Molecular Formula

C46H49NO22

Molecular Mass

967.87

Cite this Page

(-)-Triptonine B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=168009-85-6 (retrieved 2024-12-23) (CAS RN: 168009-85-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C46H49NO22/c1-22(48)60-21-45-36(64-25(4)51)32(62-23(2)49)31-34(63-24(3)50)46(45)44(8,57)35(33(37(45)65-26(5)52)66-38(53)27-12-16-58-18-27)67-41(56)42(6,68-39(54)28-13-17-59-19-28)14-11-30-29(10-9-15-47-30)40(55)61-20-43(31,7)69-46/h9-10,12-13,15-19,31-37,57H,11,14,20-21H2,1-8H3/t31-,32-,33+,34-,35+,36-,37+,42-,43+,44+,45-,46+/m1/s1

InChIKey

InChIKey=RZVUCQZHOKQLFV-NKVWGZNUSA-N

SMILES

C(OC(C)=O)[C@]12[C@@]34[C@H](OC(C)=O)[C@]([C@@](C)(O3)COC(=O)C=5C(CC[C@](OC(=O)C=6C=COC6)(C)C(=O)O[C@]([C@]4(C)O)([C@H](OC(=O)C=7C=COC7)[C@@H]1OC(C)=O)[H])=NC=CC5)([C@@H](OC(C)=O)[C@H]2OC(C)=O)[H]

Canonical SMILES

O=C1OCC2(OC34C(OC(=O)C)C2C(OC(=O)C)C(OC(=O)C)C4(COC(=O)C)C(OC(=O)C)C(OC(=O)C5=COC=C5)C(OC(=O)C(OC(=O)C6=COC=C6)(C)CCC7=NC=CC=C17)C3(O)C)C

Other Names for this Substance

  • 3-Furancarboxylic acid, (8R,9R,10R,11S,12R,13R,14R,15S,18R,21S,22S,23R)-10,13,22,23-tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-7,8,9,10,12,13,14,15,17,18,19,20-dodecahydro-21-hydroxy-8,18,21-trimethyl-5,17-dioxo-8,11-epoxy-9,12-ethano-11,15-methano-5H,11H-[1,9]dioxacyclooctadecino[4,3-b]pyridine-14,18-diyl ester
  • Evonimine, 8-(acetyloxy)-O2-deacetyl-8-deoxo-O2-(3-furanylcarbonyl)-26-[(3-furanylcarbonyl)oxy]-, (8α)-
  • Wilfortrine 26-(3-furoate)
  • 18-O-(3-Furoyl)wilfortrine
  • Triptonine B

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CAS INSIGHTSTM
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