Cas no 119417-96-8 (b-D-Glucopyranosiduronic acid, (3b,20b,22b)-22,29-epoxy-11,29-dioxoolean-12-en-3-yl 2-O-b-D-glucopyranuronosyl-)

b-D-Glucopyranosiduronic acid, (3b,20b,22b)-22,29-epoxy-11,29-dioxoolean-12-en-3-yl 2-O-b-D-glucopyranuronosyl- structure
119417-96-8 structure
Product Name:b-D-Glucopyranosiduronic acid, (3b,20b,22b)-22,29-epoxy-11,29-dioxoolean-12-en-3-yl 2-O-b-D-glucopyranuronosyl-
CAS No:119417-96-8
MF:C42H60O16
MW:820.916214942932
CID:165415
PubChem ID:86278258
Update Time:2025-04-19

b-D-Glucopyranosiduronic acid, (3b,20b,22b)-22,29-epoxy-11,29-dioxoolean-12-en-3-yl 2-O-b-D-glucopyranuronosyl- Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranosiduronic acid, (3b,20b,22b)-22,29-epoxy-11,29-dioxoolean-12-en-3-yl 2-O-b-D-glucopyranuronosyl-
    • 4,2-(Epoxymethano)picene,b-D-glucopyranosiduronic acidderiv.
    • Licoricesaponin E2
    • Oleanane, b-D-glucopyranosiduronic acid deriv.
    • CHEMBL3314502
    • beta-D-Glucopyranosiduronic acid, (3beta,20beta,22beta)-22,29-epoxy-11,29-dioxoolean-12-en-3-yl 2-o-beta-D-glucopyranuronosyl-
    • UNII-BP0AR0WUZQ
    • AKOS040761985
    • CHEBI:192216
    • (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-6-carboxy-2-[[(1R,2R,5S,6R,9R,11S,14S,15R,19S,21R)-2,5,6,10,10,14,21-heptamethyl-16,22-dioxo-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-17-en-11-yl]oxy]-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
    • .BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,20.BETA.,22.BETA.)-22,29-EPOXY-11,29-DIOXOOLEAN-12-EN-3-YL 2-O-.BETA.-D-GLUCOPYRANURONOSYL-
    • 4,2-(Epoxymethano)picene, beta-D-glucopyranosiduronic acid deriv.
    • HY-N7231
    • Q27274779
    • CS-0107329
    • Licorice-saponin E2
    • BP0AR0WUZQ
    • 119417-96-8
    • DA-75007
    • Inchi： 1S/C42H60O16/c1-37(2)20-8-11-42(7)31(19(43)14-17-18-15-38(3)16-22(55-36(38)53)39(18,4)12-13-41(17,42)6)40(20,5)10-9-21(37)54-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h14,18,20-31,34-35,44-48H,8-13,15-16H2,1-7H3,(H,49,50)(H,51,52)/t18-,20-,21-,22+,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35+,38+,39+,40-,41+,42+/m0/s1
    • InChI Key： ACCYCJOHUMRMMV-NHJGESHHSA-N
    • SMILES： O1C([C@@]2(C)C[C@@H]1[C@]1(C)CC[C@]3(C)C(=CC([C@@H]4[C@@]5(C)CC[C@@H](C(C)(C)[C@@H]5CC[C@@]34C)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O3)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O3)O)O)O)=O)[C@@H]1C2)=O

Computed Properties

  • Exact Mass: 820.388
  • Monoisotopic Mass: 820.388
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 58
  • Rotatable Bond Count: 6
  • Complexity: 1780
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 20
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 256A^2
  • XLogP3: 3.2

Experimental Properties

  • Color/Form: Powder

b-D-Glucopyranosiduronic acid, (3b,20b,22b)-22,29-epoxy-11,29-dioxoolean-12-en-3-yl 2-O-b-D-glucopyranuronosyl- Security Information

  • Signal Word：Warning
  • Storage Condition：Dry, dark and store at 0-4℃ for short term (days to weeks) or -20℃ for long term (Store correctly 2-3years).

b-D-Glucopyranosiduronic acid, (3b,20b,22b)-22,29-epoxy-11,29-dioxoolean-12-en-3-yl 2-O-b-D-glucopyranuronosyl- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TargetMol Chemicals
TN4436-5 mg
Licoricesaponin E2
 119417-96-8 98%
5mg
 ￥ 4,940 2023-07-11
TargetMol Chemicals
TN4436-1 mL * 10 mM (in DMSO)
Licoricesaponin E2
 119417-96-8 98%
1 mL * 10 mM (in DMSO)
 ￥ 7500 2023-09-15
TargetMol Chemicals
TN4436-5mg
Licoricesaponin E2
 119417-96-8
5mg
 ￥ 4940 2024-07-20
TargetMol Chemicals
TN4436-1 ml * 10 mm
Licoricesaponin E2
 119417-96-8
1 ml * 10 mm
 ￥ 7500 2024-07-20

b-D-Glucopyranosiduronic acid, (3b,20b,22b)-22,29-epoxy-11,29-dioxoolean-12-en-3-yl 2-O-b-D-glucopyranuronosyl- Related Literature

Related Categories

119417-96-8 (b-D-Glucopyranosiduronic acid, (3b,20b,22b)-22,29-epoxy-11,29-dioxoolean-12-en-3-yl 2-O-b-D-glucopyranuronosyl-) Related Products

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