(Q105115394)

English

(1S,3bR,7S,9aR)-1-[4-(3,3-dimethyloxiran-2-yl)but-1-en-2-yl]-3a,3b,6,6,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]phenanthren-7-ol

group of stereoisomers with the chemical formula C₃₀H₅₀O₂

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Statements

group of stereoisomers

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protostane/dammarane triterpenoid

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protostane/dammarane triterpenoid

442.38108084 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₅₀O₂

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canonical SMILES

OC1CCC2(C)C(CCC3(C)C2CCC4C(C(=C)CCC5OC5(C)C)CCC43C)C1(C)C

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isomeric SMILES

C=C(CCC1OC1(C)C)[C@H]1CCC2(C)C1CCC1[C@@]3(C)CC[C@H](O)C(C)(C)C3CC[C@]12C

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Identifiers

InChI=1S/C30H50O2/c1-19(9-12-25-27(4,5)32-25)20-13-17-29(7)21(20)10-11-23-28(6)16-15-24(31)26(2,3)22(28)14-18-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21?,22?,23?,24+,25?,28+,29?,30-/m1/s1

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ILQUAQTXYDCHSY-VSLNYLMQSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

ILQUAQTXYDCHSY-VSLNYLMQSA-N

UniChem compound ID

1 reference

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