(Q105214093)

English

(E,6S)-6-[(1S,3R,7S,8R,11S,12S,15R,16R)-7-hydroxy-7,12,16-trimethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]hept-3-en-2-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

6-(7-Hydroxy-7,12,16-trimethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)hept-3-en-2-one

1 reference

based on heuristic

inferred from SMILES

mass

412.334130648 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₄O₂

0 references

canonical SMILES

O=C(C=CCC(C)C1CCC2(C)C3CCC4C(O)(C)CCCC54CC35CCC12C)C

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isomeric SMILES

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

0 references

found in taxon

mangosteen

1 reference

stated in

A triterpene from Garcinia mangostana

Identifiers

InChI

InChI=1S/C28H44O2/c1-19(8-6-9-20(2)29)21-12-15-25(4)22-10-11-23-26(5,30)13-7-14-27(23)18-28(22,27)17-16-24(21,25)3/h6,9,19,21-23,30H,7-8,10-18H2,1-5H3/b9-6+/t19-,21+,22-,23-,24+,25-,26-,27+,28-/m0/s1

0 references

InChIKey

PSBXVADAAHBKOP-JXMMDAESSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PSBXVADAAHBKOP-JXMMDAESSA-N

(Q105214093)

(E,6S)-6-[(1S,3R,7S,8R,11S,12S,15R,16R)-7-hydroxy-7,12,16-trimethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]hept-3-en-2-one

Statements

Identifiers

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