AG00I9WH

Name: α-L-Arabinopyranoside, (3β,16β,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[O-β-D-glucopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)]-β-D-glucopyranosyl-(1→3)]-
Brand: Angene Chemical
SKU: AG00I9WH

55466-04-1 | α-L-Arabinopyranoside, (3β,16β,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[O-β-D-glucopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)]-β-D-glucopyranosyl-(1→3)]-

Chemical structure of α-L-Arabinopyranoside, (3β,16β,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[O-β-D-glucopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)]-β-D-glucopyranosyl-(1→3)]-, CAS 55466-04-1

AG00I9WH

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CAS Number	55466-04-1
Catalog Number	AG00I9WH(AGN-PC-0SJ3RC)
Chemical Name	α-L-Arabinopyranoside, (3β,16β,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[O-β-D-glucopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)]-β-D-glucopyranosyl-(1→3)]-
IUPAC Name	(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,18R,20S)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
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
InChI Key	KVKRFLVYJLIZFD-OQVAHBRNSA-N
MDL Number	MFCD03427709
Molecular Formula	C58H94O26
Molecular Weight	1207.3514
SMILES	C[C@]12[C@@]34[C@@H]([C@@H]5[C@@](C3)(OC4)O[C@H](C[C@]5(C)O)C=C(C)C)CC[C@@H]1[C@]1(C)[C@@H](CC2)C(C)(C)[C@H](CC1)O[C@H]1[C@H](O[C@H]2[C@H](O)[C@H](O)[C@H]([C@@H](O2)C)O)[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](CO3)O)[C@@H](O)[C@@H]([C@H](O2)CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O)[C@H](CO1)O
Synonyms	jujuboside A, Jujuboside A, 55466-04-1, JujubosideA, Jujuboside-A, C58H94O26, Jujuboside A, >=97% (HPLC), EBD14938, HY-N0659, AKOS025311230, CS-7861, O901, C17831, 466J041, C-23624, Q-100636, a-L-Arabinopyranoside,(3b,16b,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-ylO-6-deoxy-a-L-mannopyranosyl-(12)-O-[O-b-D-glucopyranosyl-(16)-O-[b-D-xylopyranosyl-(12)]-b-D-glucopyranosyl-(13)]-,

Complexity	2330
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	34
Defined Bond Stereocenter Count	0
Exact Mass	1206.603g/mol
Formal Charge	0
Heavy Atom Count	84
Hydrogen Bond Acceptor Count	26
Hydrogen Bond Donor Count	14
Isotope Atom Count	0
Molecular Weight	1207.364g/mol
Monoisotopic Mass	1206.603g/mol
Rotatable Bond Count	13
Topological Polar Surface Area	394A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Related Research Chemicals

CERTIFICATE OF ANALYSIS

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited