(Q105227511)

English

(4R,5R,8S,9S,10R,13S,14R,17S)-17-[(Z,2R)-7-hydroxy-6-methylhept-5-en-2-yl]-4,5,9,13,14-pentamethyl-1,2,4,6,7,8,10,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

chemical compound

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instance of

type of chemical entity

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subclass of

17-(7-Hydroxy-6-methylhept-5-en-2-yl)-4,5,9,13,14-pentamethyl-1,2,4,6,7,8,10,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from SMILES

mass

442.38108084 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(4R,5S,8S,9S,10S,13S,14R,17S)-17-[(Z,2R)-7-hydroxy-6-methylhept-5-en-2-yl]-4,5,9,13,14-pentamethyl-1,2,4,6,7,8,10,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₀O₂

0 references

canonical SMILES

O=C1CCC2C(C)(CCC3C2(C)CCC4(C)C(CCC34C)C(C)CCC=C(C)CO)C1C

0 references

isomeric SMILES

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

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found in taxon

Monteverdia ilicifolia

1 reference

stated in

Four new triterpenoids from Maytenus ilicifolia

Monteverdia truncata

1 reference

stated in

Four new triterpenoids from Maytenus ilicifolia

Identifiers

InChI

InChI=1S/C30H50O2/c1-20(19-31)9-8-10-21(2)23-13-16-30(7)26-14-15-27(4)22(3)24(32)11-12-25(27)28(26,5)17-18-29(23,30)6/h9,21-23,25-26,31H,8,10-19H2,1-7H3/b20-9-/t21-,22+,23+,25+,26+,27+,28+,29+,30-/m1/s1

0 references

InChIKey

QSYDYBFVAWKGOI-MHKFPINRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QSYDYBFVAWKGOI-MHKFPINRSA-N

(Q105227511)

(4R,5R,8S,9S,10R,13S,14R,17S)-17-[(Z,2R)-7-hydroxy-6-methylhept-5-en-2-yl]-4,5,9,13,14-pentamethyl-1,2,4,6,7,8,10,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

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Identifiers

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