(Q104415347)

English

3beta-(2-O,3-O,4-O-Triacetyl-6-O-palmitoyl-beta-D-glucopyranosyloxy)-5alpha-stigmasta-5-ene

chemical compound

In more languages

Statements

type of chemical entity

0 references

[3,4,5-tris(acetyloxy)-6-{[1-(5-ethyl-6-methylheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-yl]oxy}oxan-2-yl]methyl hexadecanoate

1 reference

based on heuristic

inferred from SMILES

940.700349272 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2S,3S,4R,5S,6S)-3,4,5-triacetyloxy-6-[[(3S,8R,9S,10R,13R,14R,17S)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-2-yl]methyl hexadecanoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₅₇H₉₆O₁₀

0 references

canonical SMILES

O=C(OC1C(OC2CC3=CCC4C(CCC5(C)C(CCC45)C(C)CCC(CC)C(C)C)C3(C)CC2)OC(COC(=O)CCCCCCCCCCCCCCC)C(OC(=O)C)C1OC(=O)C)C

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isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4CC[C@@H]3[C@H](C)CC[C@@H](CC)C(C)C)C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

0 references

1 reference

A chlorinated monoterpene ketone, acylated beta-sitosterol glycosides and a flavanone glycoside from Mentha longifolia (Lamiaceae).

Mentha longifolia

1 reference

A chlorinated monoterpene ketone, acylated beta-sitosterol glycosides and a flavanone glycoside from Mentha longifolia (Lamiaceae).

Identifiers

InChI=1S/C57H96O10/c1-11-13-14-15-16-17-18-19-20-21-22-23-24-25-51(61)62-37-50-52(63-40(6)58)53(64-41(7)59)54(65-42(8)60)55(67-50)66-45-32-34-56(9)44(36-45)28-29-46-48-31-30-47(57(48,10)35-33-49(46)56)39(5)26-27-43(12-2)38(3)4/h28,38-39,43,45-50,52-55H,11-27,29-37H2,1-10H3/t39-,43-,45+,46+,47-,48+,49+,50-,52-,53+,54-,55-,56+,57-/m1/s1

0 references

JBZURISFBWQCNL-ZSDNWMCUSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

JBZURISFBWQCNL-ZSDNWMCUSA-N

UniChem compound ID

1 reference

Sitelinks

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