Primary Record
Holotoxin B
- In stock
- 8,471 g
- Purity
- 98.2 %
- CAS
- 55892-88-1
Compound Identifiers & Properties
- CAS
- 55892-88-1
- PubChem CID
- 101610323
- SMILES
- C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](CO[C@H]2O[C@H]3CC[C@]4([C@H](C3(C)C)CC[C@@H]5C4=CC[C@@]67[C@]5(CC(=O)[C@@H]6[C@](OC7=O)(C)CCCC(=C)C)C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)OC)O)O
- Canonical SMILES
- C=C(C)CCC[C@]1(C)OC(=O)[C@]23CC=C4[C@@H](CC[C@H]5C(C)(C)[C@@H](O[C@@H]6OC[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]45C)[C@]2(C)CC(=O)[C@@H]31
Names & Synonyms
- Holotoxin B
- SCHEMBL29419541
- J425.966A
- (1S,2S,5S,6S,9S,13S,16S,18R)-16-{[(2S,3R,4S,5R)-3-{[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-4-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-5-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxyoxan-2-yl]oxy}-2,6,13,17,17-pentamethyl-6-(4-methylpent-4-en-1-yl)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-11-ene-4,8-dione
- (20S)-3beta-[2-O-[4-O-[3-O-(3-O-Methyl-beta-D-glucopyranosyl)-beta-D-glucopyranosyl]-6-deoxy-beta-D-glucopyranosyl]-4-O-[3-O-(beta-D-glucopyranosyl)-beta-D-glucopyranosyl]-beta-D-xylopyranosyloxy]-16-oxo-20-hydroxy-5alpha-lanosta-9(11),25-dien-18-oic acid gamma-lactone
- 55892-88-1