(Q105191635)

English

(3S,5R)-3-[(1R,2R,3R,5R,6R,9S,14R,15R,17R,18S,19S)-3,17-dihydroxy-2,6,14-trimethyl-9-phenyl-8-oxahexacyclo[16.3.1.01,18.02,15.05,14.06,11]docos-11-en-19-yl]-5-[(E)-3-hydroxy-2-methylprop-1-enyl]oxolan-2-one

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

602.36073932 dalton

1 reference

1 reference

C₃₈H₅₀O₆

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canonical SMILES

O=C1OC(C=C(C)CO)CC1C2CCC34CC24C(O)CC5C6(C)CC=C7CC(OCC7(C)C6CC(O)C53C)C=8C=CC=CC8

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isomeric SMILES

C/C(=C\[C@H]1C[C@@H]([C@@H]2CC[C@]34C[C@]23[C@H](O)C[C@@H]2[C@]3(C)CC=C5C[C@@H](c6ccccc6)OC[C@]5(C)[C@@H]3C[C@@H](O)[C@]24C)C(=O)O1)CO

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found in taxon

Dichapetalum gelonioides

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stated in

Cytotoxic constituents from the stem bark of Dichapetalum gelonioides collected in the Philippines

Identifiers

InChI

InChI=1S/C38H50O6/c1-22(19-39)14-25-16-26(33(42)44-25)27-11-13-37-20-38(27,37)32(41)18-30-34(2)12-10-24-15-28(23-8-6-5-7-9-23)43-21-35(24,3)29(34)17-31(40)36(30,37)4/h5-10,14,25-32,39-41H,11-13,15-21H2,1-4H3/b22-14+/t25-,26-,27-,28-,29+,30+,31+,32+,34+,35-,36-,37+,38+/m0/s1

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InChIKey

OGIKSTYGXSTZFU-CRVVQHGJSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OGIKSTYGXSTZFU-CRVVQHGJSA-N

(Q105191635)

(3S,5R)-3-[(1R,2R,3R,5R,6R,9S,14R,15R,17R,18S,19S)-3,17-dihydroxy-2,6,14-trimethyl-9-phenyl-8-oxahexacyclo[16.3.1.01,18.02,15.05,14.06,11]docos-11-en-19-yl]-5-[(E)-3-hydroxy-2-methylprop-1-enyl]oxolan-2-one

Statements

Identifiers

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