(Q104972768)

English

(1S,3R,7R,8R,11S,12S,15R,16R)-7-(hydroxymethyl)-7,12,16-trimethyl-15-[(2R,5S)-1,5,6-trihydroxy-6-methylheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

7-(Hydroxymethyl)-7,12,16-trimethyl-15-(1,5,6-trihydroxy-6-methylheptan-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one

1 reference

based on heuristic

inferred from SMILES

mass

490.3658247 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O₅

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canonical SMILES

O=C1CCC23CC43CCC5(C)C(CCC5(C)C4CCC2C1(C)CO)C(CO)CCC(O)C(O)(C)C

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isomeric SMILES

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

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found in taxon

Aglaia cucullata

1 reference

stated in

Constituents of Amoora cucullata with TRAIL resistance-overcoming activity

Identifiers

InChI

InChI=1S/C30H50O5/c1-25(2,35)23(33)9-6-19(16-31)20-10-12-28(5)22-8-7-21-26(3,18-32)24(34)11-13-29(21)17-30(22,29)15-14-27(20,28)4/h19-23,31-33,35H,6-18H2,1-5H3/t19-,20+,21-,22-,23-,26-,27+,28-,29+,30-/m0/s1

0 references

InChIKey

CZFZDSXRUODOJQ-LQURIMJTSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104972768)

(1S,3R,7R,8R,11S,12S,15R,16R)-7-(hydroxymethyl)-7,12,16-trimethyl-15-[(2R,5S)-1,5,6-trihydroxy-6-methylheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one

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Identifiers

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