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AG00CHMC

35906-36-6 | Sinegin 3

Chemical structure of Sinegin 3, CAS 35906-36-6
AG00CHMC
sdsSDS
sdsCOA

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CAS Number 35906-36-6
Catalog Number AG00CHMC(AGN-PC-0RBCTC)
Chemical Name Sinegin 3
IUPAC Name (2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
InChI InChI=1S/C75H112O35/c1-30-44(81)48(85)53(90)63(99-30)107-59-58(105-43(80)17-12-33-10-13-34(97-9)14-11-33)32(3)101-67(60(59)108-64-56(93)51(88)57(31(2)100-64)106-62-52(89)47(84)40(28-98-62)104-65-54(91)49(86)45(82)38(26-76)102-65)110-69(96)74-21-20-70(4,5)24-36(74)35-15-16-41-71(6)25-37(79)61(109-66-55(92)50(87)46(83)39(27-77)103-66)73(8,68(94)95)42(71)18-19-72(41,7)75(35,29-78)23-22-74/h10-15,17,30-32,36-42,44-67,76-79,81-93H,16,18-29H2,1-9H3,(H,94,95)/b17-12+/t30-,31-,32+,36-,37-,38+,39+,40+,41+,42+,44-,45-,46+,47-,48+,49-,50-,51-,52+,53+,54+,55+,56+,57-,58-,59-,60+,61-,62-,63-,64-,65-,66-,67-,71+,72+,73-,74-,75-/m0/s1
InChI Key QSTBHNPMHXYCII-KJCIHCEPSA-N
MDL Number MFCD28124358
Molecular Formula C75H112O35
Molecular Weight 1573.6708
SMILES C(O)[C@]12[C@@]3(C)[C@@]([C@]4(C)[C@@](CC3)([C@@](C(O)=O)(C)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)C4)[H])(CC=C1[C@]6([C@@](C(O[C@H]7[C@H](O[C@H]8[C@H](O)[C@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@H](O[C@@H]%10O[C@H](CO)[C@H](O)[C@H](O)[C@H]%10O)CO9)[C@H](C)O8)[C@@H](O[C@H]%11[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O%11)[C@@H](OC(/C=C/C%12=CC=C(OC)C=C%12)=O)[C@@H](C)O7)=O)(CC2)CCC(C)(C)C6)[H])[H]
Synonyms
onjisaponin B, Senegin III, ONJISAPONIN B, 35906-36-6, SCHEMBL4097653, CHEBI:66469, 8193AH, AKOS030530165, C75H112O35, C17760, 2beta-Hydroxy-3beta-(beta-D-glucopyranosyloxy)-27-hydroxy-28-[2-O-[4-O-(4-O-beta-D-galactopyranosyl-beta-D-xylopyranosyl)-6-deoxy-alpha-L-mannopyranosyl]-3-O-alpha-L-rhamnopyranosyl-4-O-(4-methoxystyrylcarbonyl)-6-deoxy-beta-D-galactopyranosyloxy]-28-oxooleana-12-ene-23-oic acid, 3-O-beta-D-glucopyranosylpresenegenin-28-O-[2-[beta-D-galactopyranosyl(1->4)-beta-D-xylopyranosyl(1->4)-alpha-L-rhamnopyranosyl]]-3-(alpha-L-rhamnopyranosyl)-4-[4'-methoxycinnamoyl]-beta-D-fucopyranoside, 6-deoxy-alpha-L-mannopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)-beta-D-xylopyranosyl-(1->4)-6-deoxy-alpha-L-mannopyranosyl-(1->2)]-6-deoxy-1-O-[(2beta,3beta)-3-(beta-D-glucopyranosyloxy)-2,23,27-trihydroxy-23,28-dioxoolean-12-en-28-yl]-4-O-[3-(4-methoxyphenyl)prop-2-enoyl]-beta-D-galactopyranose, ACN-047365,

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    CERTIFICATE OF ANALYSIS
    Chemical Name: Batch Number:
    Chemical Structure: CAS Registry No:
    		Product ID:
    Manufacture Date:
    Storage Temperature:
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    Test: Result:
    Conclusion: The above product meets the specifications of Angene.
    Analyst:Chase
    Date:
    Reviewed by:Jessie
    Date:
    Angene International Limited