Triptolidenol

Base Information

• Chemical Name: Triptolidenol
• CAS No.: 99694-86-7
• Molecular Formula: C20H24 O7
• Molecular Weight: 376.4004
• UNII: 8BBS7D4LA5
• DSSTox Substance ID: DTXSID60244206
• Wikipedia: Triptolidenol
• Wikidata: Q15634169
• ChEMBL ID: CHEMBL4798681
• Mol file: 99694-86-7.mol

Synonyms:Triptolidenol;15-Hydroxytriptolide;99694-86-7;8BBS7D4LA5;UNII-8BBS7D4LA5;Trisoxireno(4b,5:6,7:8a,9)phenanthro(1,2-c)furan-1(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10,-decahydro-6-hydroxy-6a-(1-hydroxy-1-methylethyl)-8b-methyl-, (3bS-(3balpha,4aalpha,5aR*,6beta,6abeta,7abeta,7balpha,8aR*,8bbeta))-;(1S,2S,4S,5S,7R,8R,9S,11S,13S)-8-hydroxy-7-(2-hydroxypropan-2-yl)-1-methyl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-en-17-one;CHEMBL4798681;SCHEMBL19255542;DTXSID60244206;TRIPTOLIDE, 15-HYDROXY-;APBNDXHFQWSYOS-KSYZUNFVSA-N;CHEBI:132333;Q15634169;(3BS,4AS,5AS,6R,6AR,7AS,7BS,8AS,8BS)-3B,4,4A,6,6A,7A,7B,8B,9,10-DECAHYDRO-6-HYDROXY-6A-(1-HYDROXY-1-METHYLETHYL)-8B-METHYLTRISOXIRENO(4B,5:6,7:8A,9)PHENANTHRO(1,2-C)FURAN-1(3H)-ONE;(3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-6-hydroxy-6a-(2-hydroxypropan-2-yl)-8b-methyl-3b,4,4a,6,6a,7a,7b,8b,9,10-decahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1(3H)-one;TRISOXIRENO(4B,5:6,7:8A,9)PHENANTHRO(1,2-C)FURAN-1(3H)-ONE, 3B,4,4A,6,6A,7A,7B,8B,9,10-DECAHYDRO-6-HYDROXY-6A-(1-HYDROXY-1-METHYLETHYL)-8B-METHYL-, (3BS,4AS,5AS,6R,6AR,7AS,7BS,8AS,8BS)-;TRISOXIRENO(4B,5:6,7:8A,9)PHENANTHRO(1,2-C)FURAN-1(3H)-ONE, 3B,4,4A,6,6A,7A,7B,8B,9,10-DECAHYDRO-6-HYDROXY-6A-(1-HYDROXY-1-METHYLETHYL)-8B-METHYL-, (3BS-(3B.ALPHA.,4A.ALPHA.,5AR*,6.BETA.,6A.BETA.,7A.BETA.,7B.ALPHA.,8AR*,8B.BETA.))-

Chemical Property of Triptolidenol

Chemical Property:

• Vapor Pressure: 1.08E-19mmHg at 25°C
• Boiling Point: 650.8°C at 760 mmHg
• Flash Point: 238.4°C
• Density: 1.56g/cm³
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 376.15220310
• Heavy Atom Count: 27
• Complexity: 864

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3=C(C1CC4C5(C26C(O6)C7C(C5O)(O7)C(C)(C)O)O4)COC3=O
• Isomeric SMILES: C[C@]12CCC3=C([C@@H]1C[C@H]4[C@@]5([C@@]26[C@@H](O6)[C@H]7[C@@]([C@H]5O)(O7)C(C)(C)O)O4)COC3=O