GHS
GHS Classification Search
Terrestroside B
CAS Number: 300817-18-9
IUPAC name: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-5-hydroxy-4-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy]oxan-2-yl]oxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,6R,7S,8R,9S,12S,13S,16S,18S)-6-methoxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Molecular formula: C62H104O31
Molecular weight: 1345.5
InChI: InChI=1S/C62H104O31/c1-23(20-81-54-48(78)45(75)41(71)34(17-63)86-54)9-14-62(80-6)24(2)37-33(93-62)16-30-28-8-7-26-15-27(10-12-60(26,4)29(28)11-13-61(30,37)5)85-58-52(92-57-49(79)44(74)38(68)25(3)84-57)51(43(73)35(18-64)87-58)90-59-53(91-56-47(77)40(70)32(67)22-83-56)50(42(72)36(19-65)88-59)89-55-46(76)39(69)31(66)21-82-55/h23-59,63-79H,7-22H2,1-6H3/t23-,24+,25+,26+,27+,28+,29+,30+,31-,32-,33+,34-,35-,36-,37+,38+,39+,40+,41-,42-,43-,44-,45+,46-,47-,48-,49-,50+,51+,52-,53-,54-,55+,56+,57+,58-,59+,60+,61+,62-/m1/s1
InChIKey: BTWPDEGCCHXZQG-JWPYDJEPSA-N
SMILES: C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)C)C)O[C@@]1(CC[C@@H](C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC
EINECS: -
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