Cas no 67526-94-7 (THAPSIGARGICIN)
THAPSIGARGICIN structure
Product Name:THAPSIGARGICIN
CAS No:67526-94-7
MF:C32H46O12
MW:622.700451374054
CID:889544
PubChem ID:124525832
Update Time:2025-04-19
THAPSIGARGICIN Chemical and Physical Properties
Names and Identifiers
-
- THAPSIGARGICIN
- 6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl hexanoate
- Hexanoic acid, 6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-((2-methyl-1-oxo-2-butenyl)oxy)-2-oxo-4-(1-oxobutoxy)azuleno(4,5-b)furan-7-yl ester, (3S-(3alpha,3abeta,4alpha,6beta,6abeta,7beta,8alpha(Z),9balpha))-
- SCHEMBL21900317
- NSC369501
- [(3R,3aS,4S,6S,7R)-6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] hexanoate
- 67526-94-7
- MFCD00214081
- [(3S,3Ar,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] hexanoate
- Thapsigargicin, >=90%
- CHEMBL328508
- HSCI1_000012
- BRD-K73500942-001-01-5
- HY-N11691
- CS-0715246
- SMR000440625
- MLS000877034
- CHEMBL1537509
- Hexanoic acid,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[(2-methyl-1-oxo-2-butenyl)oxy]-2-oxo-4-(1-oxobutoxy)azuleno[4,5-b]furan-7-yl ester, [3R-[3.alpha.,3a.beta.,4.alpha.,6.beta.,6a.beta.,7.beta.,8.alpha.(Z),9b.alpha.]]-
- Compound NP-001600
- NCGC00168959-01
- [6-acetyloxy-4-butanoyloxy-3,6,9-trimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-3,3a-bis(oxidanyl)-2-oxidanylidene-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] hexanoate
- hexanoic acid [6-acetoxy-4-butyryloxy-3,3a-dihydroxy-2-keto-3,6,9-trimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] ester
- NSC 369501
- BRD-A67659692-001-01-1
- hexanoic acid [6-acetyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(E)-2-methyl-1-oxobut-2-enoxy]-2-oxo-4-(1-oxobutoxy)-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] ester
- NSC-369501
- cid_5353992
- BDBM68167
- MEGxp0_000580
- AKOS040740050
- [6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] hexanoate
- ACon1_000563
-
- Inchi： 1S/C32H46O12/c1-9-12-13-15-22(35)41-26-24-23(18(5)25(26)42-28(36)17(4)11-3)27-32(39,31(8,38)29(37)43-27)20(40-21(34)14-10-2)16-30(24,7)44-19(6)33/h11,20,24-27,38-39H,9-10,12-16H2,1-8H3/b17-11-/t20-,24+,25-,26-,27-,30-,31+,32+/m0/s1
- InChI Key： LXWLOFYIORKNSA-FFOGNQQCSA-N
- SMILES： O1C([C@](C)([C@]2([C@H](C[C@@](C)([C@H]3[C@@H]([C@H](C(C)=C3[C@H]12)OC(/C(=C\C)/C)=O)OC(CCCCC)=O)OC(C)=O)OC(CCC)=O)O)O)=O
Computed Properties
- Exact Mass: 622.29900
- Monoisotopic Mass: 622.299
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 44
- Rotatable Bond Count: 15
- Complexity: 1240
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 8
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 172
Experimental Properties
- Color/Form: Solids
- Density: 1.26
- Boiling Point: 673.3°C at 760 mmHg
- Flash Point: 203.8°C
- Refractive Index: 1.542
- PSA: 171.96000
- LogP: 3.14770
- Solubility: Not determined
THAPSIGARGICIN Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHENG KE LU SI SHENG WU JI SHU | sc-253692-1 mg |
Thapsigargicin, |
67526-94-7 | 1mg |
￥752.00 | 2023-07-10 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-253692A-5 mg |
Thapsigargicin, |
67526-94-7 | 5mg |
￥3,008.00 | 2023-07-10 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-253692B-10 mg |
Thapsigargicin, |
67526-94-7 | 10mg |
￥4,513.00 | 2023-07-10 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-253692-1mg |
Thapsigargicin, |
67526-94-7 | 1mg |
￥752.00 | 2023-09-05 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-253692A-5mg |
Thapsigargicin, |
67526-94-7 | 5mg |
￥3008.00 | 2023-09-05 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-253692B-10mg |
Thapsigargicin, |
67526-94-7 | 10mg |
￥4513.00 | 2023-09-05 |
THAPSIGARGICIN Related Literature
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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