Cas no 121686-42-8 (b-D-Glucopyranosiduronic acid, (3b,4a,16b,21b,22a)-16,21,22,23,28-pentahydroxyolean-12-en-3-yl)

b-D-Glucopyranosiduronic acid, (3b,4a,16b,21b,22a)-16,21,22,23,28-pentahydroxyolean-12-en-3-yl structure
121686-42-8 structure
Product Name:b-D-Glucopyranosiduronic acid, (3b,4a,16b,21b,22a)-16,21,22,23,28-pentahydroxyolean-12-en-3-yl
CAS No:121686-42-8
MF:C36H58O12
MW:682.838532924652
MDL:MFCD07779149
CID:163450
Update Time:2025-04-19

b-D-Glucopyranosiduronic acid, (3b,4a,16b,21b,22a)-16,21,22,23,28-pentahydroxyolean-12-en-3-yl Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranosiduronic acid, (3b,4a,16b,21b,22a)-16,21,22,23,28-pentahydroxyolean-12-en-3-yl
    • Deacylgymnemic acid
    • DEACYLGYMNEMIC ACID(SH) PrintBack
    • (2S,3S,4S,5R,6R)-6-[[(6aR,6bS,8R,8aR,9S,10S,12aR,14bR)-8,9,10-trihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
    • (3β,4α,16β-21β,22α)-16,21,22,23,28-Pentahydroxyolean-12-en-3-yl β-D-glucopyranosiduronic acid
    • 3-O-β-D-Glucuronopyranosyl gymnemagenin
    • (3beta,4alpha,16beta,21beta,22alpha)-16,21,22,23,28-Pentahydroxyolean-12-en-3-yl-beta-D-glucopyranosiduronic acid
    • DEACYLGYMNEMIC ACID(SH)
    • MDL: MFCD07779149
    • Inchi: 1S/C36H58O12/c1-31(2)13-18-17-7-8-20-32(3)11-10-22(47-30-25(42)23(40)24(41)26(48-30)29(45)46)33(4,15-37)19(32)9-12-34(20,5)35(17,6)14-21(39)36(18,16-38)28(44)27(31)43/h7,18-28,30,37-44H,8-16H2,1-6H3,(H,45,46)/t18-,19?,20?,21-,22?,23+,24+,25-,26+,27-,28-,30-,32+,33?,34-,35-,36+/m1/s1
    • InChI Key: NXUZSZLFZAMZLC-BNLARJOSSA-N
    • SMILES: O[C@@H]1C[C@]2(C)C(=CCC3[C@@]4(C)CCC(C(C)(CO)C4CC[C@]32C)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O2)O)O)O)[C@H]2CC(C)(C)[C@@H]([C@H]([C@@]21CO)O)O

Computed Properties

  • Exact Mass: 682.39300

Experimental Properties

  • Density: 1.39
  • PSA: 217.60000
  • LogP: 0.94260

b-D-Glucopyranosiduronic acid, (3b,4a,16b,21b,22a)-16,21,22,23,28-pentahydroxyolean-12-en-3-yl Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3

b-D-Glucopyranosiduronic acid, (3b,4a,16b,21b,22a)-16,21,22,23,28-pentahydroxyolean-12-en-3-yl Pricemore >>

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