Basic information
- CAS
30244-37-2- Standard SMILES
CC(=O)OC1CC2(O)C(OC(C)=O)C3C4(CO4)C(OC(C)=O)CC(OC(C)=O)C3(C)C(OC(C)=O)C(OC(C)=O)C(=C1C)C2(C)C- InChIKey
LUTPIRPNUNHFEV-UHFFFAOYSA-N- Molecular formula
- C32H44O14
- Average molar mass
- 652.7 g/mol
- Monoisotopic mass
- 652.27310607
Overview
1-Hydroxybaccatin I has been reported in Taxus wallichiana with data available.
Names & identifiers
- Preferred name
- (2',5',9',10',13'-Pentaacetyloxy-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-7'-yl) acetate
- IUPAC
- (2',5',9',10',13'-pentaacetyloxy-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-7'-yl) acetate
- English name
- 1-Hydroxybaccatin I
- Molecular formula
- C32H44O14
- Molecular weight
- 652.68
Names & synonyms
30244-37-2NSC330755(2',5',9',10',13'-Pentaacetyloxy-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-7'-yl) acetate1- Hydroxybacatin Iorb1218197SCHEMBL28881918DTXSID70330902AKOS032948502NSC-330755B0005-1787921-Hydroxy-4,20-epoxytax-11-ene-2,5,7,9,10,13-hexayl hexaacetate[(1'S,2S,2'S,3'R,5'S,7'S,8'S,9'R,10'R,13'S)-2',5',9',10',13'-pentaacetyloxy-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.0^{3,8]pentadec-11-ene]-7'-yl] acetate
Show more names
1β-hydroxybaccatinI1-Hydroxybaccatin IHYDROXYBACCATIN I, 1-(RG)1-Hydroxybaccatin I, 10 mM in DMSO1 Hydroxybaccatin I,1Hydroxybaccatin I[1S,4R,(+)]-4,20-Epoxytax-11-ene-1,2α,5α,7β,9α,10β,13α-heptol 2,5,7,9,10,13-hexaacetateSpiro[6,10-methanobenzocyclodecene-4(6H),2'-oxirane]-1,3,5,6,8,11,12-heptol, 1,2,3,4a,5,7,8,11,12,12a-decahydro-9,12a,13,13-tetramethyl-, 1,3,5,8,11,12-hexaacetate, (1S,2'R,3S,4aR,5S,6S,8S,11R,12R,12aS)- (9CI)
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 191 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 12
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,370
Physicochemical properties
- Melting point
- 260 · 260-261 °C
- Boiling point
- 657.2 · 657.2±55.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Cryst.
- pka
- 12.68 · 12.68±0.70(Predicted)
- color
- White to off-white
Chemistry & industry
Applications
Uses1β-Hydroxybaccatin I (1-Hydroxybaccatin I) can be extracted from Taxus wallichiana[1].
Suppliers51 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
湖北丹鼎医药科技有限公司18917019315（微信同号） 17701422019 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
Hubei Danding Pharmaceutical Technology Co., Ltd+86-18917019315 +86-13173601896 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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