(Q105187710)

English

(5R,9R,10R,13S,14S,17S)-17-[(2S,3S,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-methoxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

chemical compound

In more languages

edit

Statements

instance of

type of chemical entity

0 references

subclass of

17-[5-(1,2-Dihydroxy-2-methylpropyl)-2-methoxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from SMILES

mass

502.3658247 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

21Alpha-Methylmelianodiol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(5R,9R,10R,13S,14R,17S)-17-[(2S,3S,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-methoxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(5R,9R,10R,13S,14R,17S)-17-[(2R,3S,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-methoxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from InChI

(5R,9R,10R,13S,14S,17S)-17-[(2R,3S,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-methoxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₅₀O₅

0 references

canonical SMILES

O=C1CCC2(C)C3C(=CCC2C1(C)C)C4(C)CCC(C5CC(OC5OC)C(O)C(O)(C)C)C4(C)CC3

0 references

isomeric SMILES

CO[C@H]1O[C@@H]([C@H](O)C(C)(C)O)C[C@H]1[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C

0 references

found in taxon

Toona sinensis

1 reference

stated in

Apotirucallane and tirucallane triterpenoids from Cedrela sinensis

Chisocheton cumingianus

1 reference

stated in

Chisopanins A-K, 11 new protolimonoids from Chisocheton paniculatus and their anti-inflammatory activities

Melia azedarach

1 reference

stated in

Limonoids and triterpenoids from the seeds of Melia azedarach

Trifoliate orange

2 references

stated in

21-Methylmelianodiols from Poncirus trifoliata as inhibitors of interleukin-5 bioactivity in Pro-B cells

stated in

Anti-inflammatory activity of 21(alpha, beta)-methylmelianodiols, novel compounds from Poncirus trifoliata Rafinesque

Identifiers

InChI

InChI=1S/C31H50O5/c1-27(2)23-10-9-21-20(29(23,5)14-13-24(27)32)12-16-30(6)19(11-15-31(21,30)7)18-17-22(36-26(18)35-8)25(33)28(3,4)34/h9,18-20,22-23,25-26,33-34H,10-17H2,1-8H3/t18-,19-,20-,22+,23-,25-,26-,29+,30-,31+/m0/s1

0 references

InChIKey

NYUZBOBAGWNMHW-HLMLUNATSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NYUZBOBAGWNMHW-HLMLUNATSA-N

(Q105187710)

(5R,9R,10R,13S,14S,17S)-17-[(2S,3S,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-methoxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)