(Q105177382)

English

[(1S,4S,5S,6S,8R,10R,11R,13S,17R,18R,19R,22S)-6-hydroxy-4,9,9,13,17-pentamethyl-22-propan-2-yl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-20-oxahexacyclo[17.2.2.01,18.04,17.05,14.08,13]tricos-14-en-11-yl] acetate

chemical compound

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Statements

type of chemical entity

0 references

[6-Hydroxy-4,9,9,13,17-pentamethyl-22-propan-2-yl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-20-oxahexacyclo[17.2.2.01,18.04,17.05,14.08,13]tricos-14-en-11-yl] acetate

1 reference

based on heuristic

inferred from SMILES

676.41864812 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,4S,5S,6S,8R,10R,11R,13S,17R,18S,19S,22S)-6-hydroxy-4,9,9,13,17-pentamethyl-22-propan-2-yl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-20-oxahexacyclo[17.2.2.01,18.04,17.05,14.08,13]tricos-14-en-11-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

1 reference

based on heuristic

inferred from InChI

[(1R,4S,5S,6S,8S,10R,11R,13S,17R,18R,19S,22S)-6-hydroxy-4,9,9,13,17-pentamethyl-22-propan-2-yl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-20-oxahexacyclo[17.2.2.01,18.04,17.05,14.08,13]tricos-14-en-11-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₈H₆₀O₁₀

0 references

canonical SMILES

O=C(OC1CC2(C3=CCC4(C)C5C6OCC5(CCC4(C)C3C(O)CC2C(C)(C)C1OC7OC(CO)C(O)C(O)C7O)C(C6)C(C)C)C)C

0 references

isomeric SMILES

CC(=O)O[C@@H]1C[C@]2(C)C3=CC[C@]4(C)[C@H]5[C@H]6C[C@@H](C(C)C)[C@]5(CC[C@@]4(C)[C@@H]3[C@@H](O)C[C@H]2C(C)(C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO6

0 references

Rubia yunnanensis

1 reference

Absolute stereostructures of new arborinane-type triterpenoids and inhibitors of nitric oxide production from Rubia yunnanensis

Identifiers

InChI=1S/C38H60O10/c1-18(2)21-13-23-31-37(8)10-9-20-27(36(37,7)11-12-38(21,31)17-45-23)22(41)14-26-34(4,5)32(24(46-19(3)40)15-35(20,26)6)48-33-30(44)29(43)28(42)25(16-39)47-33/h9,18,21-33,39,41-44H,10-17H2,1-8H3/t21-,22-,23+,24+,25+,26-,27-,28+,29-,30+,31+,32-,33-,35+,36-,37+,38-/m0/s1

0 references

NCVHJBCXBZFWRS-IYIJGHSYSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

NCVHJBCXBZFWRS-IYIJGHSYSA-N

UniChem compound ID

1 reference

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