(Q105156159)

English

(3S,5R)-5-[(E)-3-hydroxy-2-methylprop-1-enyl]-3-[(1S,2R,3R,5R,6R,9S,14S,15R,18R,19S)-3-hydroxy-2,6,14-trimethyl-9-phenyl-8-oxahexacyclo[16.3.1.01,18.02,15.05,14.06,11]docosa-11,16-dien-19-yl]oxolan-2-one

chemical compound

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instance of

type of chemical entity

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subclass of

(3S,5R)-5-[(E)-3-hydroxy-2-methylprop-1-enyl]-3-[(1S,2R,3R,5R,6R,9S,14S,15R,19S)-3-hydroxy-2,6,14-trimethyl-9-phenyl-8-oxahexacyclo[16.3.1.01,18.02,15.05,14.06,11]docosa-11,16-dien-19-yl]oxolan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

584.350174636 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₈H₄₈O₅

0 references

canonical SMILES

O=C1OC(C=C(C)CO)CC1C2CCC34CC24C=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@@]23C=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

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C38H48O5/c1-23(20-39)16-26-18-27(33(41)43-26)28-11-15-38-21-37(28,38)14-12-30-34(2)13-10-25-17-29(24-8-6-5-7-9-24)42-22-35(25,3)31(34)19-32(40)36(30,38)4/h5-10,12,14,16,26-32,39-40H,11,13,15,17-22H2,1-4H3/b23-16+/t26-,27-,28-,29-,30+,31+,32+,34+,35-,36-,37-,38+/m0/s1

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InChIKey

LRJFCTOUXFAGON-HAOXRHQYSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105156159)

(3S,5R)-5-[(E)-3-hydroxy-2-methylprop-1-enyl]-3-[(1S,2R,3R,5R,6R,9S,14S,15R,18R,19S)-3-hydroxy-2,6,14-trimethyl-9-phenyl-8-oxahexacyclo[16.3.1.01,18.02,15.05,14.06,11]docosa-11,16-dien-19-yl]oxolan-2-one

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Identifiers

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