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baccatin III

Properties
MNX_IDMNXM2003
formulaC31H38O11
charge0
mass586.62682
referencechebi:32898
Image of MNXM2003
InChIKeyOVMSOCFBDVBLFW-VHLOTGQHSA-N
InChIInChI=1S/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,26-,29+,30-,31+/m0/s1
SMILESCC(=O)O[C@@H]1C2=C(C)[C@@H](O)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C

Occurences in reactions

#reac
Distinct reactions in my sandbox 0
Distinct generic reactions in MNXref4
Distinct compatimentalized reactions in models0

Similar chemical compounds in external resources
IdentifierDescription
chebi:32898 baccatin III
5beta,20-epoxy-1,7beta,13alpha-trihydroxy-9-oxotax-11-ene-2alpha,4alpha,10beta-triyl 4,10-diacetate 2-benzoate
Baccatin III
[2aR-(2aalpha,4beta,4abeta,6beta,9alpha,11alpha,12alpha,12aalpha,12balpha)]-6,12b-bis(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca(3,4)benz(1,2-b)oxet-5-one
keggC:C11900 Baccatin III
metacycM:BACCATIN-III baccatin III
chebi:13870
chebi:29546
keggC:M_C11900
seedM:M_cpd08698
secondary/obsolete/fantasy identifier
seedM:cpd08698 Baccatin III
baccatin III