(Q105299501)

English

(3S,6R,7S,11R,12R,15R,16R,21R)-7-(hydroxymethyl)-3,7,11,16,20,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-ene-8,19-diol

group of stereoisomers with the chemical formula C₃₀H₅₀O₃

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Statements

group of stereoisomers

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serratane triterpenoid

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serratane triterpenoid

458.37599545999996 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₅₀O₃

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canonical SMILES

OCC1(C)C(O)CCC2(C)C3CCC4C(=CCC5C(C)(C)C(O)CCC45C)CC3(C)CCC12

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isomeric SMILES

CC1(C)C(O)CC[C@]2(C)[C@@H]3CC[C@@H]4[C@@](C)(CC[C@H]5[C@@](C)(CO)C(O)CC[C@]45C)CC3=CC[C@@H]12

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Identifiers

InChI=1S/C30H50O3/c1-26(2)21-9-7-19-17-27(3)14-11-23-29(5,16-13-25(33)30(23,6)18-31)22(27)10-8-20(19)28(21,4)15-12-24(26)32/h7,20-25,31-33H,8-18H2,1-6H3/t20-,21+,22-,23-,24?,25?,27+,28-,29-,30-/m1/s1

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VYUNCIDAMBNEFU-HOPCVTAFSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

VYUNCIDAMBNEFU-HOPCVTAFSA-N

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