(Q105225694)

English

[(1S,3R)-1-[(2R)-3,3-dimethyloxiran-2-yl]-3-[(5S,8S,9S,10R,14R)-4,4,8,10,14-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]butyl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[1-(3,3-Dimethyloxiran-2-yl)-3-(4,4,8,10,14-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl)butyl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

498.37091008 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

11-Deoxyalisol B 23-acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₂H₅₀O₄

0 references

canonical SMILES

O=C(OC(CC(C1=C2CCC3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C2(C)CC1)C)C5OC5(C)C)C

0 references

isomeric SMILES

CC(=O)O[C@@H](C[C@@H](C)C1=C2CC[C@@H]3[C@](C)(CC[C@@H]4C(C)(C)C(=O)CC[C@@]43C)[C@@]2(C)CC1)[C@H]1OC1(C)C

0 references

found in taxon

Alisma plantago-aquatica

2 references

stated in

Terpenoids of Alisma orientale rhizome and the crude drug alismatis rhizoma

stated in

Crude Drugs from Aquatic Plants. II. On the Constituents of the Rhizome of Alisma orientale JUZEP. Originating from Japan, Taiwan, and China. Absolute Stereostructures of 11-Deoxyalisols B and B 23-Acetate.

Identifiers

InChI

InChI=1S/C32H50O4/c1-19(18-23(35-20(2)33)27-29(5,6)36-27)21-12-16-31(8)22(21)10-11-25-30(7)15-14-26(34)28(3,4)24(30)13-17-32(25,31)9/h19,23-25,27H,10-18H2,1-9H3/t19-,23+,24-,25+,27-,30+,31+,32+/m1/s1

0 references

InChIKey

QPZAADXWHDZNFP-XTAQWWSBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QPZAADXWHDZNFP-XTAQWWSBSA-N

(Q105225694)

[(1S,3R)-1-[(2R)-3,3-dimethyloxiran-2-yl]-3-[(5S,8S,9S,10R,14R)-4,4,8,10,14-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]butyl] acetate

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Identifiers

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