(Q105292322)

English

(1R,2R,4S,6R,11R,12S,15R,18S,19R,20S,21R,23R,26S)-15-hydroxy-11,18,21-trimethyl-5,17,24,28,29-pentaoxanonacyclo[17.9.1.11,20.02,12.04,6.06,11.015,19.018,23.021,26]triacont-8-ene-10,16,25,30-tetrone

chemical compound

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instance of

type of chemical entity

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1 reference

1 reference

526.18389716 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,2R,4R,6S,11R,12S,15R,18S,19R,20S,21R,23R,26S)-15-hydroxy-11,18,21-trimethyl-5,17,24,28,29-pentaoxanonacyclo[17.9.1.11,20.02,12.04,6.06,11.015,19.018,23.021,26]triacont-8-ene-10,16,25,30-tetrone

1 reference

based on heuristic

inferred from InChIKey

CID 44577488

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,2R,4S,6R,11R,12R,15R,18R,19R,20S,21S,23R,26S)-15-hydroxy-11,18,21-trimethyl-5,17,24,28,29-pentaoxanonacyclo[17.9.1.11,20.02,12.04,6.06,11.015,19.018,23.021,26]triacont-8-ene-10,16,25,30-tetrone

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,2R,4R,6S,11R,12S,15S,18S,19R,20S,21S,23S,26S)-15-hydroxy-11,18,21-trimethyl-5,17,24,28,29-pentaoxanonacyclo[17.9.1.11,20.02,12.04,6.06,11.015,19.018,23.021,26]triacont-8-ene-10,16,25,30-tetrone

1 reference

based on heuristic

inferred from InChI

(1R,2R,4R,6S,11R,12R,15R,18R,19R,20S,21S,23R,26S)-15-hydroxy-11,18,21-trimethyl-5,17,24,28,29-pentaoxanonacyclo[17.9.1.11,20.02,12.04,6.06,11.015,19.018,23.021,26]triacont-8-ene-10,16,25,30-tetrone

1 reference

based on heuristic

inferred from InChI

(1S,2R,4R,6S,11R,12S,15R,18S,19R,20R,21S,23R,26R)-15-hydroxy-11,18,21-trimethyl-5,17,24,28,29-pentaoxanonacyclo[17.9.1.11,20.02,12.04,6.06,11.015,19.018,23.021,26]triacont-8-ene-10,16,25,30-tetrone

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₀O₁₀

0 references

canonical SMILES

O=C1OC2CC3(C)C1COC45OC6(C3C4=O)C(O)(C(=O)OC26C)CCC7C5CC8OC98CC=CC(=O)C79C

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isomeric SMILES

C[C@]12OC(=O)[C@@]3(O)CC[C@H]4[C@@H](C[C@@H]5O[C@@]56CC=CC(=O)[C@]46C)[C@]45OC[C@H]6C(=O)O[C@@H]1C[C@]6(C)[C@H](C4=O)[C@]23O5

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found in taxon

Physalis angulata

2 references

stated in

Isolation, structures, and structure - cytotoxic activity relationships of withanolides and physalins from Physalis angulata

stated in

Physalins E and H, new physalins from Physalis angulata and P. lancifolia

Identifiers

InChI

InChI=1S/C28H30O10/c1-22-10-17-24(3)28-18(22)19(30)27(38-28,34-11-14(22)20(31)35-17)13-9-16-26(36-16)7-4-5-15(29)23(26,2)12(13)6-8-25(28,33)21(32)37-24/h4-5,12-14,16-18,33H,6-11H2,1-3H3/t12-,13+,14-,16-,17+,18-,22-,23-,24-,25-,26-,27+,28-/m0/s1

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InChIKey

VSLWNSSUMFSGFF-NDBUGXLWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VSLWNSSUMFSGFF-NDBUGXLWSA-N

(Q105292322)

(1R,2R,4S,6R,11R,12S,15R,18S,19R,20S,21R,23R,26S)-15-hydroxy-11,18,21-trimethyl-5,17,24,28,29-pentaoxanonacyclo[17.9.1.11,20.02,12.04,6.06,11.015,19.018,23.021,26]triacont-8-ene-10,16,25,30-tetrone

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