Acemannan - CAS 110042-95-0

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Catalog Number: M014321

CAS Number: 110042-95-0

PubChem Substance ID:355141996

Molecular Formula: C66H100NO49-

Molecular Weight:1691.484

Purity: ≥95%

* For research use only. Not for human or veterinary use.

Synonym

SynonymsAcemannan;Ace-m;Aids000120;Aids-000120;Aloe vera mucilage;Carrisyn;Polymannoacetate

Property

Molecular Formula: C66H100NO49-
Molecular Weight1691.484
Purity≥95%
Storage-20°C

Computed Descriptor

IUPAC Name(2S,3S,4R,5S,6S)-6-[(2R,3R,4R,5S,6R)-6-[(2R,3S,4R,5S,6R)-5-acetamido-6-[(2R,3R,4R,5S,6R)-4-acetyloxy-6-[(2R,3R,4R,5S,6R)-4-acetyloxy-6-[(2R,3R,4R,5S,6S)-4-acetyloxy-5-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-acetyloxy-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-acetyloxy-3-[(2R,3S,4R,5R,6R)-4-acetyloxy-5-[(2R,3S,4R,5R,6R)-4-acetyloxy-3-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxyoxane-2-carboxylate
InChIInChI=1S/C66H101NO49/c1-18(75)67-33-34(83)42(26(11-68)102-59(33)110-44-29(14-71)106-63(38(87)51(44)97-21(4)78)113-46-30(15-72)107-64(39(88)53(46)99-23(6)80)111-45-28(13-70)103-60(94-10)35(84)50(45)96-20(3)77)109-61-37(86)52(98-22(5)79)48(32(17-74)105-61)114-66-41(90)55(101-25(8)82)56(57(116-66)58(91)92)115-65-40(89)54(100-24(7)81)47(31(16-73)108-65)112-62-36(85)49(95-19(2)76)43(93-9)27(12-69)104-62/h26-57,59-66,68-74,83-90H,11-17H2,1-10H3,(H,67,75)(H,91,92)/p-1/t26-,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-,53-,54-,55-,56+,57+,59-,60+,61-,62-,63-,64-,65-,66+/m1/s1
InChIKeyXOYXESIZZFUVRD-UVSAJTFZSA-M
SMILESCC(=O)NC1C(C(C(OC1OC2C(OC(C(C2OC(=O)C)O)OC3C(OC(C(C3OC(=O)C)O)OC4C(OC(C(C4OC(=O)C)O)OC)CO)CO)CO)CO)OC5C(C(C(C(O5)CO)OC6C(C(C(C(O6)C(=O)[O-])OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)OC)OC(=O)C)O)OC(=O)C)O)OC(=O)C)O)OC(=O)C)O)O