Cas no 60820-94-2 (Olean-12-ene-28,29-dioicacid, 2,23-dihydroxy-3-(b-D-xylopyranosyloxy)-, 29-methyl ester, (2b,3b,4a,20b)-)

Olean-12-ene-28,29-dioicacid, 2,23-dihydroxy-3-(b-D-xylopyranosyloxy)-, 29-methyl ester, (2b,3b,4a,20b)- structure
60820-94-2 structure
Product Name:Olean-12-ene-28,29-dioicacid, 2,23-dihydroxy-3-(b-D-xylopyranosyloxy)-, 29-methyl ester, (2b,3b,4a,20b)-
CAS No:60820-94-2
MF:C36H56O11
MW:664.823252677917
CID:503125
PubChem ID:441939
Update Time:2025-04-19

Olean-12-ene-28,29-dioicacid, 2,23-dihydroxy-3-(b-D-xylopyranosyloxy)-, 29-methyl ester, (2b,3b,4a,20b)- Chemical and Physical Properties

Names and Identifiers

    • Olean-12-ene-28,29-dioicacid, 2,23-dihydroxy-3-(b-D-xylopyranosyloxy)-, 29-methyl ester, (2b,3b,4a,20b)-
    • Phytolaccoside B
    • Olean-12-ene-28,29-dioicacid, 2,23-dihydroxy-3-(b-D-xylopyranosyloxy)-, 29-methyl ester, (2b,3...
    • PHYTOLACCOSIDE G
    • EsculentosideB
    • Phytolaccasaponin G
    • (2beta,3beta,4alpha,20beta)-2,23-Dihydroxy-3-(beta-D-xylopyranosyloxy)olean-12-ene-28,29-dioic acid 29-methyl ester
    • [ "Phytolaccasaponin G", " Esculentoside B" ]
    • 60820-94-2
    • 2,23-Dihydroxy-29-methoxy-29-oxo-3-(pentopyranosyloxy)olean-12-en-28-oic acid
    • NCGC00384782-01_C36H56O11_2,23-Dihydroxy-29-methoxy-29-oxo-3-(pentopyranosyloxy)olean-12-en-28-oic acid
    • AKOS032948745
    • 11-hydroxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-10-(3,4,5-trihydroxyoxan-2-yl)oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
    • NCGC00384782-01
    • CHEBI:184089
    • DTXSID40866829
    • Esculentoside B
    • CS-0032204
    • C08968
    • FS-9596
    • CHEMBL258392
    • BDBM50231813
    • 3-O-beta-D-xylopiranosylphytolaccagenin
    • CHEBI:8194
    • Q27107907
    • NS00093709
    • DTXSID401317034
    • (2S,4aR,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-11-hydroxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-10-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
    • AKOS040761708
    • Q-100700
    • Phytolaccoside B (Esculentoside B)
    • HY-N6032
    • (2S,4aR,6aS,6bR,8aR,9R,10R,11S,12aR,12bR,14bS)-11-hydroxy-9-(hydroxymethyl)-2-(methoxycarbonyl)-2,6a,6b,9,12a-pentamethyl-10-((2S,3R,4S,5R)-3,4,5-trihydroxy-tetrahydro-2H-pyran-2-yloxy)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
    • DA-53006
    • Inchi： 1S/C36H56O11/c1-31(30(44)45-6)11-13-36(29(42)43)14-12-34(4)19(20(36)15-31)7-8-24-32(2)16-21(38)27(47-28-26(41)25(40)22(39)17-46-28)33(3,18-37)23(32)9-10-35(24,34)5/h7,20-28,37-41H,8-18H2,1-6H3,(H,42,43)/t20-,21-,22+,23+,24+,25-,26+,27-,28-,31-,32-,33-,34+,35+,36-/m0/s1
    • InChI Key： SFZVDNKTWPZIJG-ACNZYQHGSA-N
    • SMILES： O([C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)[C@H]1[C@H](C[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)O

Computed Properties

  • Exact Mass: 664.38200
  • Monoisotopic Mass: 664.38226260g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 47
  • Rotatable Bond Count: 6
  • Complexity: 1300
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 15
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 183?2
  • XLogP3: 2.4

Experimental Properties

  • Color/Form: Powder
  • Density: 1.33
  • Boiling Point: 779.3±60.0 °C at 760 mmHg
  • Flash Point: 237.0±26.4 °C
  • Refractive Index: 1.6
  • PSA: 183.21000
  • LogP: 2.79320
  • Vapor Pressure: 0.0±6.1 mmHg at 25°C

Olean-12-ene-28,29-dioicacid, 2,23-dihydroxy-3-(b-D-xylopyranosyloxy)-, 29-methyl ester, (2b,3b,4a,20b)- Security Information

Olean-12-ene-28,29-dioicacid, 2,23-dihydroxy-3-(b-D-xylopyranosyloxy)-, 29-methyl ester, (2b,3b,4a,20b)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
ChemFaces
CFN98163-5mg
Esculentoside B
 60820-94-2 >=98%
5mg
 $388 2021-07-22
ChemFaces
CFN98163-5mg
Esculentoside B
 60820-94-2 >=98%
5mg
 $388 2023-09-19
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
P70530-5mg
Phytolaccoside B
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 ￥4480.0 2021-09-08
SHANG HAI TAO SHU Biotechnology Co., Ltd.
TN4014-1 mg
Esculentoside B
 60820-94-2
1mg
 ￥2275.00 2022-04-26
TargetMol Chemicals
TN4014-5mg
Esculentoside B
 60820-94-2
5mg
 ￥ 4040 2024-07-20
TargetMol Chemicals
TN4014-5 mg
Esculentoside B
 60820-94-2 98%
5mg
 ￥ 4,040 2023-07-11
TargetMol Chemicals
TN4014-1 mL * 10 mM (in DMSO)
Esculentoside B
 60820-94-2 98%
1 mL * 10 mM (in DMSO)
 ￥ 6150 2023-09-15
A2B Chem LLC
AG74552-5mg
Esculentoside B
 60820-94-2
5mg
 $719.00 2024-04-19
TargetMol Chemicals
TN4014-1 ml * 10 mm
Esculentoside B
 60820-94-2
1 ml * 10 mm
 ￥ 6150 2024-07-20
Crysdot LLC
CD11094957-5mg
Phytolaccoside B
 60820-94-2 95+%
5mg
 $680 2024-07-18

Olean-12-ene-28,29-dioicacid, 2,23-dihydroxy-3-(b-D-xylopyranosyloxy)-, 29-methyl ester, (2b,3b,4a,20b)- Related Literature

Related Categories

60820-94-2 (Olean-12-ene-28,29-dioicacid, 2,23-dihydroxy-3-(b-D-xylopyranosyloxy)-, 29-methyl ester, (2b,3b,4a,20b)-) Related Products

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