Primary record
Resiniferatoxin
- CAS
- 57444-62-9
- PubChem CID
- 104826
- SMILES
- C[C@@H]1C[C@]2([C@H]3[C@H]4[C@]1([C@@H]5C=C(C(=O)[C@]5(CC(=C4)COC(=O)CC6=CC(=C(C=C6)O)OC)O)C)OC(O3)(O2)CC7=CC=CC=C7)C(=C)C
- Molecular Formula
- C37H40O9
- Molecular Weight
- 628.718
- Exact Mass
- 628.2672
- InChI
- InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35-,36?,37-/m1/s1
- InChIKey
- DSDNAKHZNJAGHN-IHCAYWNCSA-N
- LogP
- 4.7447
- TPSA
- 120.75
Names and synonyms
- Resiniferatoxin
- Reciniferatoxin
- AC1L2XKN
- UNII-A5O6P1UL4I
- SCHEMBL12936216
- BDBM20285
- C37H40O9
- CID104826
- AKOS015967267
- C37-H40-O9
- LS-28836
- PD018697
- J723.158J
- 20085-EP2308848A1
- 20085-EP2314585A1
- RTX
- 57444-62-9
- (3aR)-2-Benzyl-5-[[(3-methoxy-4-hydroxyphenyl)acetoxy]methyl]-6abeta-hydroxy-8,10alpha-dimethyl-11abeta-isopropenyl-2,9balpha-epoxy-3abeta,3bbeta,6,9aalpha,9b,10,11,11a-octahydroazuleno[5,4-e][1,3]benzodioxole-7(6aH)-one
- (3aR)-4,6aalpha,7,8,9,10,10a,10bbeta-Octahydro-3aalpha-hydroxy-5-[[(4-hydroxy-3-methoxyphenyl)acetoxy]methyl]-2,10beta-dimethyl-8-(1-methylethenyl)-7beta,8beta,10abeta-[(2-phenylethane-1,1,1-triyl)trisoxy]benz[e]azulen-3(3aH)-one
- [(1R,2R,6R,10S,11R,15R,17R)-13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-(prop-1-en-2-yl)-12,14,18-trioxapentacyclo[11.4.1.0;{1,10}.0;{2,6}.0;{11,15}]octadeca-3,8-dien-8-yl]methyl 2-(4-hydroxy-3-methoxyphenyl)acetate
- [(1R,2R,6R,10S,11R,15R,17R)-13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-(prop-1-en-2-yl)-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl]methyl 2-(4-hydroxy-3-methoxyphenyl)acetate
- [(1R,2R,6R,10S,11R,15R,17R)-13-Benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl]methyl 2-(4-hydroxy-3-methoxyphenyl)acetate
- 6,7-Deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)daphnetoxin 20-(3-hydroxy-5-methoxybenzeneacetate)
- 7beta,8beta,10abeta-(Benzylmethylidynetrisoxy)-5-(3-methoxy-4-hydroxybenzylcarbonyloxymethyl)-8-isopropenyl-2,10beta-dimethyl-3aalpha-hydroxy-3a,6aalpha,7,8,9,10,10a,10bbeta-octahydrobenzo[e]azulene-3(4H)-one
- Benzeneacetic acid, 4-hydroxy-3-methoxy-, ((2S,3aR,3bS,6aR,9aR,9bR,10R,11aR)-3a,3b,6,6a,9a,10,11,11a-octahydro-6a-hydroxy-8,10-dimethyl-11a-(1-methylethenyl)-7-oxo-2-(phenylmethyl)-7H-2,9b-epoxyazuleno(5,4-e)-1,3-benzodioxol-5-yl)methyl ester