Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C48H78O19 |
Molecular Weight | 959.1215 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 27 / 27 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]8(O[C@@H]1[C@@H](CO)O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@]34CC[C@@H](C)[C@H](C)[C@@]3([H])C5=CC[C@]6([H])[C@@]7(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@]7([H])CC[C@@]6(C)[C@]5(C)CC4)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O
InChI
InChIKey=WYQVAPGDARQUBT-FGWHUCSPSA-N
InChI=1S/C48H78O19/c1-20-10-13-48(15-14-46(6)23(29(48)21(20)2)8-9-28-44(4)16-24(51)39(60)45(5,19-50)27(44)11-12-47(28,46)7)43(61)67-42-36(58)33(55)31(53)26(65-42)18-62-40-37(59)34(56)38(25(17-49)64-40)66-41-35(57)32(54)30(52)22(3)63-41/h8,20-22,24-42,49-60H,9-19H2,1-7H3/t20-,21+,22+,24-,25-,26-,27-,28-,29+,30+,31-,32-,33+,34-,35-,36-,37-,38-,39+,40-,41+,42+,44+,45+,46-,47-,48+/m1/s1
Molecular Formula | C48H78O19 |
Molecular Weight | 959.1215 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 27 / 27 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 01:11:44 UTC 2023
by
admin
on
Sat Dec 16 01:11:44 UTC 2023
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Record UNII |
PKO39VY215
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Record Status |
Validated (UNII)
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Record Version |
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166062
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18405
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16830-15-2
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C63665
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DTXSID30937476
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1043331
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m2092
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PKO39VY215
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SUB12949MIG
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DB14081
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11954171
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100000077438
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C004446
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PKO39VY215
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240-851-7
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36002
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Related Record | Type | Details | ||
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PARENT -> CONSTITUENT ALWAYS PRESENT |
Constituent of Centella asiatica aerial parts.
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