Jujuboside A | CAS No. 55466-04-1

Jujuboside A

Basic Information

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CAS Number

55466-04-1

Molecular Formula

C58H94O26

Molecular Weight

1207.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

222-225 ºC

Boiling Point

No data available

Density

1.50

Flash Point

No data available

Refractive Index

1.639

Vapor Pressure

No data available

SMILES

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CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C5CCC6C7C(CC(OC78CC6(C5(CCC4C3(C)C)C)CO8)C=C(C)C)(C)O)C)O)OC9C(C(C(C(O9)COC1C(C(C(C(O1)CO)O)O)O)O)O)OC1C(C(C(CO1)O)O)O)O)O)O

InChI

InChI=1S/C58H94O26/c1-23(2)15-25-16-56(8,72)47-26-9-10-32-54(6)13-12-33(53(4,5)31(54)11-14-55(32,7)57(26)21-58(47,84-25)76-22-57)80-51-46(83-50-43(71)38(66)34(62)24(3)77-50)44(28(61)19-74-51)81-52-45(82-49-41(69)35(63)27(60)18-73-49)40(68)37(65)30(79-52)20-75-48-42(70)39(67)36(64)29(17-59)78-48/h15,24-52,59-72H,9-14,16-22H2,1-8H3/t24-,25-,26+,27+,28-,29+,30+,31-,32+,33-,34-,35-,36+,37+,38+,39-,40-,41+,42+,43+,44-,45+,46+,47-,48+,49-,50-,51-,52-,54-,55+,56-,57-,58-/m0/s1

InChIKey

KVKRFLVYJLIZFD-OQVAHBRNSA-N

LogP

-2.7181999999999933

Topological Polar Surface Area

393.9800000000001 Å²

Hydrogen Bond Donor/Acceptor

14 / 26

Complexity

2330

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

-20℃

Synonyms & References

English

HY-N0659
PN3SW9GZ6X
C17831
55466-04-1
AKOS025311230
CS-7861
alpha-L-Arabinopyranoside, (3beta,16beta,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-->2)-O-[O-beta-D-glucopyranosyl-(1-->6)-O-[beta-D-xylopyranosyl-(1-->2)]-beta-D-glucopyranosyl-(1-->3)]-
(3beta,16beta,23R)-16,23:16,30-Diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-->2)-O-[O-beta-D-glucopyranosyl-(1-->6)-O-[beta-D-xylopyranosyl-(1-->2)]-beta-D-glucopyranosyl-(1-->3)]-alpha-L-arabinopyranoside
Jujuboside A
S9213
CCG-270655
CHEBI:177582
Jujuboside A, >=97% (HPLC)
Q-100636
EX-A8003C
DTXSID601317892
O-6-Deoxy-a-L-mannopyranosyl-(1(r)2)-O-[O-b-D-glucopyranosyl-(1(r)6)-O-[b-D-xylopyranosyl-(1(r)2)]-b-D-glucopyranosyl-(1(r)3)]-(3b,16b,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl-a-L-arabinopyranoside
glucopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)]-β-D-glucopyranosyl-(1→3)]-
α-L-Arabinopyranoside, (3β,16β,23R)-16,23:16,30
JUJUBOSIDE A(P) PrintBack
Jujuboside A
jujuboside C
Ziziphus jujuba Mill. Var
(3β,16β,23R)-16,23:16,30-Diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O0[O-β-D-glucopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)-β-D-glucopyranosyl-(1→3)]-α-L-arabinopyranoside
O-6-Deoxy-a-L-mannopyranosyl-(1(r)2)-O-[O-b-D-glucopyranosyl-(1(r)6)-O-[b-D-xylopyranosyl-(1(r)2)]-b-D-glucopyranosyl-(1(r)3)]-(3b,16b,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl-a-L-arabinop
Ziziphi Spinosae Semen