Home >> Chemicals Listing >> hot product list by O  

Olean-12-en-28-oicacid, 3-[[2-O-[4-O-[(3S)-4-carboxy-3-hydroxy-3-methyl-1-oxobutyl]-a-L-arabinopyranosyl]-b-D-glucopyranosyl]oxy]-2,23-dihydroxy-,28-(O-b-D-xylopyranosyl-(1®3)-O-6-deoxy-a-L-mannopyranosyl-(1®2)-a-L-arabinopyranosyl) ester, intramol. 4''(3)®4''(28)-ester, (2b,3b,4a)- (102040-03-9)

Identification
Name:Olean-12-en-28-oicacid, 3-[[2-O-[4-O-[(3S)-4-carboxy-3-hydroxy-3-methyl-1-oxobutyl]-a-L-arabinopyranosyl]-b-D-glucopyranosyl]oxy]-2,23-dihydroxy-,28-(O-b-D-xylopyranosyl-(1®3)-O-6-deoxy-a-L-mannopyranosyl-(1®2)-a-L-arabinopyranosyl) ester, intramol. 4''(3)®4''(28)-ester, (2b,3b,4a)-
Synonyms:Olean-12-en-28-oicacid, 3-[[2-O-[4-O-(4-carboxy-3-hydroxy-3-methyl-1-oxobutyl)-a-L-arabinopyranosyl]-b-D-glucopyranosyl]oxy]-2,23-dihydroxy-,28-(O-b-D-xylopyranosyl-(1?;2)-a-L-arabinopyranosyl) ester, intramol. ester, [2b,3b(S),4a]-;Lobatoside H;Tubeimoside 1;Tubeimoside I;Tuberimoside 1;
CAS:102040-03-9
Molecular Formula: C63H98O29
Molecular Weight: 1319.43
InChI: InChI=1/C65H102O29/c1-27-45-47(90-51-42(79)36(73)30(70)23-84-51)44(81)53(86-27)91-48-37(74)31(71)24-85-54(48)94-56(82)65-17-15-57(2,3)25-62(65,8)34-12-14-64(10)61(7)20-29(69)50(59(5,26-67)33(61)11-13-63(64,9)60(34,6)16-18-65)93-55-49(40(77)38(75)32(22-66)87-55)92-52-43(80)39(76)41(78)46(89-52)28(68)19-58(4,83)21-35(72)88-45/h12,27,29-33,36-55,66-67,69-71,73-81,83H,11,13-26H2,1-10H3/t27-,29-,30+,31+,32+,33+,36-,37-,38+,39-,40-,41+,42+,43+,44+,45-,46-,47-,48+,49+,50-,51-,52-,53-,54-,55-,58-,59-,60+,61-,62-,63-,64+,65+/m0/s1
Molecular Structure: (C63H98O29) Olean-12-en-28-oicacid, 3-[[2-O-[4-O-(4-carboxy-3-hydroxy-3-methyl-1-oxobutyl)-a-L-arabinopyranosyl]...
Properties
Flash Point: °C
Boiling Point: °Cat760mmHg
Density:1.5g/cm3
Refractive index:1.638
Specification:

The Tubeimoside A with the CAS number 102040-03-9 is also called Lobatoside H. Its molecular formula is C63H98O29. The product's category is Sapogenins. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 6.38; (2)# of Rule of 5 Violations: 4; (3)ACD/LogD (pH 5.5): 6.37; (4)ACD/LogD (pH 7.4): 6.37; (5)#H bond acceptors: 29; (6)#H bond donors: 14; (7)#Freely Rotating Bonds: 22; (8)Polar Surface Area: 445.19 Å2; (9)Index of Refraction: 1.637; (10)Molar Refractivity: 313.19 cm3; (11)Molar Volume: 872.4 cm3; (12)Polarizability: 124.16×10-24cm3; (13)Surface Tension: 82.6 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4)C)(CCC7C6(CC(C8C7(COC(=O)CC(CC(=O)OC9C(C(COC9OC1C(C(C(OC1O8)CO)O)O)O)O)(C)O)C)O)C)C)(C)C)O)O)O)OC1C(C(C(CO1)O)O)O)O
(2)InChI: InChI=1/C63H98O29/c1-26-38(71)46(88-51-44(77)39(72)30(66)22-81-51)45(78)52(85-26)89-48-41(74)32(68)24-83-54(48)92-56(79)63-15-13-57(2,3)17-28(63)27-9-10-35-59(5)18-29(65)50-60(6,34(59)11-12-62(35,8)61(27,7)14-16-63)25-84-36(69)19-58(4,80)20-37(70)87-47-40(73)31(67)23-82-53(47)90-49-43(76)42(75)33(21-64)86-55(49)91-50/h9,26,28-35,38-55,64-68,71-78,80H,10-25H2,1-8H3/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-,58?,59-,60-,61+,62+,63-/m0/s1
(3)InChIKey: KDLDEZGLVXPNOJ-GVCHXLJZBQ 

Flash Point: °C
Safety Data
 

Other Product