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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H54O11
Molecular Weight 674.8195
Optical Activity UNSPECIFIED
Defined Stereocenters 18 / 18
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CIMIRACEMOSIDE P

SMILES

C[C@]1([H])C[C@@]2([C@]3([H])[C@](C)(C(=O)O2)O3)O[C@@]4([H])C[C@@]5(C)[C@]6([H])CC[C@@]7([H])C(C)(C)[C@]([H])(CC[C@]87C[C@@]68C[C@]([H])([C@]5(C)[C@@]14[H])OC(=O)C)O[C@@]9([H])[C@@]([H])([C@]([H])([C@@]([H])(CO9)O)O)O

InChI

InChIKey=KRKLOCQWMFXIPR-VHTKLTLISA-N
InChI=1S/C37H54O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h17,19-29,39-41H,8-16H2,1-7H3/t17-,19-,20+,21+,22+,23+,24-,25+,26+,27-,28+,29+,32+,33-,34-,35-,36+,37-/m1/s1

HIDE SMILES / InChI

Molecular Formula C37H54O11
Molecular Weight 674.8195
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 17 / 18
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 09:26:52 UTC 2021
Edited
by admin
on Sat Jun 26 09:26:52 UTC 2021
Record UNII
DF3972404L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CIMIRACEMOSIDE P
Common Name English
9,19-CYCLOLANOSTAN-26-OIC ACID, 12-(ACETYLOXY)-16,23:24,25-DIEPOXY-23-HYDROXY-3-(.BETA.-D-XYLOPYRANOSYLOXY)-, .DELTA.-LACTONE, (3.BETA.,12.BETA.,16.BETA.,23R,24S,25R)-
Systematic Name English
CIMIRACEMOSIDE P, (-)-
Common Name English
Code System Code Type Description
CAS
473554-80-2
Created by admin on Sat Jun 26 09:26:52 UTC 2021 , Edited by admin on Sat Jun 26 09:26:52 UTC 2021
PRIMARY
PUBCHEM
91827183
Created by admin on Sat Jun 26 09:26:52 UTC 2021 , Edited by admin on Sat Jun 26 09:26:52 UTC 2021
PRIMARY
FDA UNII
DF3972404L
Created by admin on Sat Jun 26 09:26:52 UTC 2021 , Edited by admin on Sat Jun 26 09:26:52 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT