(Q105177745)

English

(2S,6R)-6-[(3S,5R,8S,10S,13S,14S)-3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

6-(3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxoheptanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

512.350174636 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S,6R)-6-[(3S,5S,8S,10S,13S,14S)-3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid

1 reference

based on heuristic

inferred from InChI

(2S,6R)-6-[(3R,5R,8S,10S,13S,14S)-3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₄₈O₅

0 references

canonical SMILES

O=C(OC1CCC2(C3=CCC4(C(=CCC4(C)C3CCC2C1(C)C)C(C)CC(=O)CC(C(=O)O)C)C)C)C

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isomeric SMILES

CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)C([C@H](C)CC(=O)C[C@H](C)C(=O)O)=CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C

0 references

found in taxon

Garcinia speciosa

2 references

stated in

Bioactive friedolanostanes and 11(10-->8)-abeolanostanes from the bark of Garcinia speciosa.

stated in

Lanostanes and friedolanostanes from the bark of Garcinia speciosa

Garcinia hombroniana

1 reference

stated in

Lanostanes and friedolanostanes from the pericarp of Garcinia hombroniana

Garcinia celebica

3 references

stated in

Lanostanes and friedolanostanes from the bark of Garcinia speciosa

stated in

Bioactive friedolanostanes and 11(10-->8)-abeolanostanes from the bark of Garcinia speciosa.

stated in

Lanostanes and friedolanostanes from the pericarp of Garcinia hombroniana

Identifiers

InChI

InChI=1S/C32H48O5/c1-19(17-22(34)18-20(2)28(35)36)23-11-15-32(8)25-9-10-26-29(4,5)27(37-21(3)33)13-14-30(26,6)24(25)12-16-31(23,32)7/h11-12,19-20,25-27H,9-10,13-18H2,1-8H3,(H,35,36)/t19-,20+,25-,26+,27+,30-,31-,32+/m1/s1

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InChIKey

NDWKRFXQWMPMBW-UCGRRSPDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NDWKRFXQWMPMBW-UCGRRSPDSA-N

1 reference

(Q105177745)

(2S,6R)-6-[(3S,5R,8S,10S,13S,14S)-3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid

Statements

Identifiers

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