Kansuinin B

CAS Registry Number®

57685-46-8

CAS Name

Kansuinin B

Molecular Formula

C38H42O14

Molecular Mass

722.73

Cite this Page

Kansuinin B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=57685-46-8 (retrieved 2024-11-24) (CAS RN: 57685-46-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C38H42O14/c1-18-26(50-33(44)22-14-10-8-11-15-22)24-31(48-20(3)39)37(7,47)35(46)38(24,52-21(4)40)29(42)19(2)28-32(49-28)36(5,6)30(43)25(41)27(18)51-34(45)23-16-12-9-13-17-23/h8-17,19,24-28,31-32,35,41,46-47H,1H2,2-7H3

InChIKey

InChIKey=JFOILMZFESGPDU-UHFFFAOYSA-N

SMILES

O(C(C)=O)C12C(C(OC(=O)C3=CC=CC=C3)C(=C)C(OC(=O)C4=CC=CC=C4)C(O)C(=O)C(C)(C)C5C(C(C)C1=O)O5)C(OC(C)=O)C(C)(O)C2O

Canonical SMILES

O=C(OC1C(=C)C(OC(=O)C=2C=CC=CC2)C3C(OC(=O)C)C(O)(C)C(O)C3(OC(=O)C)C(=O)C(C)C4OC4C(C(=O)C1O)(C)C)C=5C=CC=CC5

Other Names for this Substance

  • 2H-Cyclopenta[5,6]cyclododec[1,2-b]oxirene-3,11(1aH,4H)-dione, 8,10a-bis(acetyloxy)-5,7-bis(benzoyloxy)decahydro-4,9,10-trihydroxy-2,2,9,12-tetramethyl-6-methylene-, (1aS,4R,5S,7R,7aS,8R,9R,10S,10aS,12S,12aS)-
  • 2H-Cyclopenta[5,6]cyclododec[1,2-b]oxirene-3,11(1aH,4H)-dione, 8,10a-bis(acetyloxy)-5,7-bis(benzoyloxy)decahydro-4,9,10-trihydroxy-2,2,9,12-tetramethyl-6-methylene-, [1aS-(1aR*,4S*,5R*,7S*,7aR*,8S*,9S*,10R*,10aR*,12R*,12aR*)]-
  • (1aS,4R,5S,7R,7aS,8R,9R,10S,10aS,12S,12aS)-8,10a-Bis(acetyloxy)-5,7-bis(benzoyloxy)decahydro-4,9,10-trihydroxy-2,2,9,12-tetramethyl-6-methylene-2H-cyclopenta[5,6]cyclododec[1,2-b]oxirene-3,11(1aH,4H)-dione
  • Kansuinin B
  • Kansuinine B

CAS INSIGHTSTM
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