Tubeimoside I
Molecular Formula:
C63H98O29
InChI: InChI=1/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-,34u,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/f/h68H
InChIKey: InChIKey=JXWKUXFXGOVHIM-FNNBDYCADQ
SMILES: CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C(C5(C=C4)C)(CCC7C6(CC(C(C7(C)C)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(CO9)OC(=O)CC(C)(CC(=O)O)O)O)O)O)C)C)(C)C)O)OC1C(C(C(CO1)O)O)O)O)O)O
Names:
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)-
Tubeimoside I
Tubeimoside 1
(3S)-5-[(3S,4R,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[[(2S,3S,6aR,6bS,8aR,12aS,14aR,14bS)-2-hydroxy-8a-[(2S,3R,4S,5S)-5-hydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-oxan-2-yl]oxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,9,10,12,12a,14,14a-dodecahydropicen-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-oxan-3-yl]oxy-3-hydroxy-3-methyl-5-oxo-pentanoic acid
102040-03-9
Registries:
PubChem CID 3034097
PubChem ID 215616
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