(Q105236800)

English

(6R)-2-methyl-6-[(1S,3S,6S,8R,11S,12S,14S,15R,16R,18R)-6,14,18-trihydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]heptan-3-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-Methyl-6-(6,14,18-trihydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)heptan-3-one

1 reference

based on heuristic

inferred from SMILES

mass

474.37091008 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O₄

0 references

canonical SMILES

O=C(CCC(C)C1C(O)CC2(C)C3CCC4C(C)(C)C(O)CCC54CC35C(O)CC12C)C(C)C

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isomeric SMILES

CC(C)C(=O)CC[C@@H](C)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]45C[C@]35[C@H](O)C[C@]12C

0 references

found in taxon

Curculigo orchioides

1 reference

stated in

Glycosides of a cycloartane sapogenin fromCurculigo orchioides

Identifiers

InChI

InChI=1S/C30H50O4/c1-17(2)19(31)9-8-18(3)25-20(32)14-27(6)22-11-10-21-26(4,5)23(33)12-13-29(21)16-30(22,29)24(34)15-28(25,27)7/h17-18,20-25,32-34H,8-16H2,1-7H3/t18-,20+,21+,22+,23+,24-,25+,27+,28-,29+,30-/m1/s1

0 references

InChIKey

RIEWRMPKFLKPDL-CMQNVICESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RIEWRMPKFLKPDL-CMQNVICESA-N

(Q105236800)

(6R)-2-methyl-6-[(1S,3S,6S,8R,11S,12S,14S,15R,16R,18R)-6,14,18-trihydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]heptan-3-one

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Identifiers

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