(9S,10S,11S,12R,13S,14R,15S,16R,21R,22R,23R)-13,14,22,23-Tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-5,6,9,10,12,13,14,15,16,17-decahydro-10,21-dihydroxy-5,6,10,16-tetramethyl-11,16-epoxy-9,12-ethano-11,15-methano-11H-[1,8]dioxacycloheptadecino[3,4-c]pyridine-7,19-dione

CAS Registry Number®

911306-27-9

CAS Name

(9S,10S,11S,12R,13S,14R,15S,16R,21R,22R,23R)-13,14,22,23-Tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-5,6,9,10,12,13,14,15,16,17-decahydro-10,21-dihydroxy-5,6,10,16-tetramethyl-11,16-epoxy-9,12-ethano-11,15-methano-11H-[1,8]dioxacycloheptadecino[3,4-c]pyridine-7,19-dione

Molecular Formula

C36H45NO17

Molecular Mass

763.74

Cite this Page

(9S,10S,11S,12R,13S,14R,15S,16R,21R,22R,23R)-13,14,22,23-Tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-5,6,9,10,12,13,14,15,16,17-decahydro-10,21-dihydroxy-5,6,10,16-tetramethyl-11,16-epoxy-9,12-ethano-11,15-methano-11H-[1,8]dioxacycloheptadecino[3,4-c]pyridine-7,19-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=911306-27-9 (retrieved 2024-11-25) (CAS RN: 911306-27-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    137-141 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C36H45NO17/c1-15-16(2)31(44)53-28-26(50-19(5)40)30(52-21(7)42)35(14-47-17(3)38)29(51-20(6)41)25(49-18(4)39)24-27(43)36(35,34(28,9)46)54-33(24,8)13-48-32(45)23-12-37-11-10-22(15)23/h10-12,15-16,24-30,43,46H,13-14H2,1-9H3/t15?,16?,24-,25-,26+,27?,28+,29-,30+,33+,34+,35-,36+/m1/s1

InChIKey

InChIKey=INDHYPIBEYIOOF-GWEWICNFSA-N

SMILES

C(OC(C)=O)[C@@]12[C@@]34C(O)[C@@]([C@@H](OC(C)=O)[C@H]1OC(C)=O)([C@@](C)(O3)COC(=O)C=5C(C(C)C(C)C(=O)O[C@]([C@]4(C)O)([C@H](OC(C)=O)[C@@H]2OC(C)=O)[H])=CC=NC5)[H]

Canonical SMILES

O=C1OCC2(OC34C(O)C2C(OC(=O)C)C(OC(=O)C)C4(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C(C)C(C=5C=CN=CC15)C)C3(O)C)C

Other Names for this Substance

  • 11,16-Epoxy-9,12-ethano-11,15-methano-11H-[1,8]dioxacycloheptadecino[3,4-c]pyridine-7,19-dione, 13,14,22,23-tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-5,6,9,10,12,13,14,15,16,17-decahydro-10,21-dihydroxy-5,6,10,16-tetramethyl-, (9S,10S,11S,12R,13S,14R,15S,16R,21R,22R,23R)-
  • (9S,10S,11S,12R,13S,14R,15S,16R,21R,22R,23R)-13,14,22,23-Tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-5,6,9,10,12,13,14,15,16,17-decahydro-10,21-dihydroxy-5,6,10,16-tetramethyl-11,16-epoxy-9,12-ethano-11,15-methano-11H-[1,8]dioxacycloheptadecino[3,4-c]pyridine-7,19-dione
  • Tripfordine C

CAS INSIGHTSTM
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