Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Tubeimoside I
RN: 102040-03-9
InChIKey: JXWKUXFXGOVHIM-NURBMQBGSA-N

Note

  • A phytogenic antineoplastic agent with antiviral and anti-inflammatory activities; from Chinese Cucurbitaceae folk medicine "tu bei mu" a tuber of Bolbostemma paniculatum.

Molecular Formula

  • C63-H98-O29

Molecular Weight

  • 1319.4382
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Tubeimoside I

Synonym

  • Tubeimoside 1

Systematic Name

  • Olean-12-en-28-oic acid, 3-((2-O-(4-O-(4-carboxy-3-hydroxy-3-methyl-1-oxobutyl)-alpha-L-arabinopyranosyl)-beta-D-glucopyranosyl)oxy)-2,23-dihydroxy-, 28-((O-beta-D-xylopyranosyl)-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl) ester, intramol ester, (2beta,3beta(S),4alpha)-

Registry Numbers

CAS Registry Number

  • 102040-03-9

System Generated Number

  • 0102040039

Structure Descriptors

InChI

1S/C63H98O29/c1-26-38(71)42(75)46(79)53(85-26)90-49-47(88-51-44(77)39(72)30(66)23-82-51)31(67)24-83-54(49)92-56(80)63-16-14-57(2,3)18-28(63)27-10-11-35-60(7)19-29(65)50(58(4,5)34(60)12-13-62(35,9)61(27,8)15-17-63)91-55-48(43(76)40(73)32(22-64)87-55)89-52-45(78)41(74)33(25-84-52)86-37(70)21-59(6,81)20-36(68)69/h10,15,17,26,28-35,38-55,64-67,71-79,81H,11-14,16,18-25H2,1-9H3,(H,68,69)/t26-,28+,29-,30+,31-,32+,33-,34?,35+,38-,39-,40+,41-,42+,43-,44+,45+,46+,47-,48+,49+,50-,51+,52-,53-,54-,55-,59-,60-,61+,62+,63-/m0/s1

InChIKey

JXWKUXFXGOVHIM-NURBMQBGSA-N

Smiles

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2OC(=O)[C@]34CCC(C[C@@H]3C5=CC[C@H]6[C@]([C@@]5(C=C4)C)(CCC7[C@@]6(C[C@@H]([C@@H](C7(C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@H](CO9)OC(=O)C[C@](C)(CC(=O)O)O)O)O)O)C)C)(C)C)O)O[C@@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O)O