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Substance Name: Xestobergsterol A
RN: 141272-45-9
InChIKey: NXIUUQKBFNWMSY-GUYYLKMKSA-N

Note

  • Isolated from the Okinawan marine sponge Xestospongia bergquistia.

Molecular Formula

  • C27-H44-O5

Molecular Weight

  • 448.64
 
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Names and Synonyms

Name of Substance

  • Xestobergsterol A

Systematic Name

  • 16,23-Cyclocholestan-15-one, 3,6,7,23-tetrahydroxy-, (3alha,5alha,6alpha,7beta,16alpha,23alpha)-

Registry Numbers

CAS Registry Number

  • 141272-45-9

System Generated Number

  • 0141272459

Structure Descriptors

InChI

1S/C27H44O5/c1-13(2)11-27(32)12-14(3)19-21(27)24(31)20-18-16(7-9-26(19,20)5)25(4)8-6-15(28)10-17(25)22(29)23(18)30/h13-23,28-30,32H,6-12H2,1-5H3/t14-,15-,16?,17-,18?,19+,20+,21-,22-,23-,25-,26-,27-/m1/s1

InChIKey

NXIUUQKBFNWMSY-GUYYLKMKSA-N

Smiles

C1([C@H]2[C@@]([C@@H]3[C@H]1[C@](CC(C)C)(O)C[C@H]3C)(CC[C@@H]1[C@@]3([C@H](C[C@@H](CC3)O)[C@H]([C@@H]([C@@H]21)O)O)C)C)=O