Cas no 65931-92-2 (Olean-12-ene-28,29-dioicacid, 3-[(4-O-b-D-glucopyranosyl-b-D-xylopyranosyl)oxy]-23-hydroxy-,29-methyl ester, (3b,4a,20b)-)

Olean-12-ene-28,29-dioicacid, 3-[(4-O-b-D-glucopyranosyl-b-D-xylopyranosyl)oxy]-23-hydroxy-,29-methyl ester, (3b,4a,20b)- structure
65931-92-2 structure
Product Name:Olean-12-ene-28,29-dioicacid, 3-[(4-O-b-D-glucopyranosyl-b-D-xylopyranosyl)oxy]-23-hydroxy-,29-methyl ester, (3b,4a,20b)-
CAS No:65931-92-2
MF:C42H66O15
MW:810.964455127716
CID:525788
PubChem ID:73157052
Update Time:2025-04-19

Olean-12-ene-28,29-dioicacid, 3-[(4-O-b-D-glucopyranosyl-b-D-xylopyranosyl)oxy]-23-hydroxy-,29-methyl ester, (3b,4a,20b)- Chemical and Physical Properties

Names and Identifiers

    • Olean-12-ene-28,29-dioicacid, 3-[(4-O-b-D-glucopyranosyl-b-D-xylopyranosyl)oxy]-23-hydroxy-,29-methyl ester, (3b,4a,20b)-
    • esculentoside C
    • Phytolaccoside D
    • (3beta,4alpha,20beta)-3-[(4-O-beta-D-Glucopyranosyl-beta-D-xylopyranosyl)oxy]-23-hydroxyolean-12-ene-28,29-dioic acid 29-methyl ester
    • Q-100753
    • Phytolaccoside D (Esculentoside C)
    • ESCULENTOSIDEC
    • NS00093710
    • 65931-92-2
    • DTXSID801109702
    • FS-9597
    • HY-125121
    • (2S,4aR,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
    • AKOS040763469
    • CS-0089380
    • 29-Methyl (3beta,4alpha,20beta)-3-[(4-O-beta-D-glucopyranosyl-beta-D-xylopyranosyl)oxy]-23-hydroxyolean-12-ene-28,29-dioate
    • (2S,4AR,6AS,6BR,8AR,9R,10S,12AR,12BR,14BS)-10-{[(2S,3R,4R,5R)-3,4-DIHYDROXY-5-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-2-YL]OXY}-9-(HYDROXYMETHYL)-2-(METHOXYCARBONYL)-2,6A,6B,9,12A-PENTAMETHYL-1,3,4,5,6,7,8,8A,10,11,12,12B,13,14B-TETRADECAHYDROPICENE-4A-CARBOXYLIC ACID
    • Inchi： 1S/C42H66O15/c1-37(36(52)53-6)13-15-42(35(50)51)16-14-40(4)21(22(42)17-37)7-8-26-38(2)11-10-27(39(3,20-44)25(38)9-12-41(26,40)5)57-33-31(48)29(46)24(19-54-33)56-34-32(49)30(47)28(45)23(18-43)55-34/h7,22-34,43-49H,8-20H2,1-6H3,(H,50,51)/t22-,23+,24+,25+,26+,27-,28+,29-,30-,31+,32+,33-,34-,37-,38-,39-,40+,41+,42-/m0/s1
    • InChI Key： NMDFCFOQBAHNPV-RFTJXAPBSA-N
    • SMILES： O([C@H]1[C@@H]([C@H]([C@@H](CO1)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)O)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@]4(C)CC[C@@]5(C(=O)O)CC[C@@](C(=O)OC)(C)C[C@H]5C4=CC[C@@H]32)[C@]1(C)CO

Computed Properties

  • Exact Mass: 810.44000
  • Monoisotopic Mass: 810.44017139g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 57
  • Rotatable Bond Count: 9
  • Complexity: 1570
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 19
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.8
  • Topological Polar Surface Area: 242?2

Experimental Properties

  • Color/Form: White powder
  • Density: 1.38
  • PSA: 242.13000
  • LogP: 1.64660

Olean-12-ene-28,29-dioicacid, 3-[(4-O-b-D-glucopyranosyl-b-D-xylopyranosyl)oxy]-23-hydroxy-,29-methyl ester, (3b,4a,20b)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
ChemFaces
CFN98164-5mg
Esculentoside C
 65931-92-2 >=98%
5mg
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ChemFaces
CFN98164-5mg
Esculentoside C
 65931-92-2 >=98%
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 $368 2023-09-19
SHANG HAI TAO SHU Biotechnology Co., Ltd.
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 ￥3870.00 2022-04-26
TargetMol Chemicals
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 ￥ 3800 2024-07-20
TargetMol Chemicals
TN6442-5 mg
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 ￥ 3,800 2023-07-11
TargetMol Chemicals
TN6442-1 mL * 10 mM (in DMSO)
Esculentoside C
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1 mL * 10 mM (in DMSO)
 ￥ 5790 2023-09-15
TargetMol Chemicals
TN6442-1 ml * 10 mm
Esculentoside C
 65931-92-2
1 ml * 10 mm
 ￥ 5790 2024-07-20
A2B Chem LLC
AH14444-5mg
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 65931-92-2 98%
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 $1460.00 2024-04-19

Olean-12-ene-28,29-dioicacid, 3-[(4-O-b-D-glucopyranosyl-b-D-xylopyranosyl)oxy]-23-hydroxy-,29-methyl ester, (3b,4a,20b)- Related Literature

Related Categories

65931-92-2 (Olean-12-ene-28,29-dioicacid, 3-[(4-O-b-D-glucopyranosyl-b-D-xylopyranosyl)oxy]-23-hydroxy-,29-methyl ester, (3b,4a,20b)-) Related Products

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