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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H50O4
Molecular Weight 474.7156
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 20,24-EPOXY-12,25-DIHYDROXYDAMMARAN-3-ONE, (12BETA,24S)-

SMILES

CC(C)(O)[C@@H]1CC[C@](C)(O1)[C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C

InChI

InChIKey=MOCDJPYINJXPKU-XZFHKJHYSA-N
InChI=1S/C30H50O4/c1-25(2)20-10-15-28(6)21(27(20,5)13-11-22(25)32)17-19(31)24-18(9-14-29(24,28)7)30(8)16-12-23(34-30)26(3,4)33/h18-21,23-24,31,33H,9-17H2,1-8H3/t18-,19+,20-,21+,23-,24-,27-,28+,29+,30-/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H50O4
Molecular Weight 474.7156
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 09:40:36 GMT 2025
Edited
by admin
on Wed Apr 02 09:40:36 GMT 2025
Record UNII
YA3S38AH49
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
20,24-EPOXY-12,25-DIHYDROXYDAMMARAN-3-ONE, (12BETA,24S)-
Common Name English
(20S)-PROTOPANAXADIOL METABOLITE M2-1
Preferred Name English
(20S,24S)-EPOXYDAMMARANE-12,25-DIOL-3-ONE
Systematic Name English
(12.BETA.,24S)-20,24-EPOXY-12,25-DIHYDROXYDAMMARAN-3-ONE
Systematic Name English
DAMMARAN-3-ONE, 20,24-EPOXY-12,25-DIHYDROXY-, (12.BETA.,20S,24S)-
Systematic Name English
Code System Code Type Description
FDA UNII
YA3S38AH49
Created by admin on Wed Apr 02 09:40:36 GMT 2025 , Edited by admin on Wed Apr 02 09:40:36 GMT 2025
PRIMARY
PUBCHEM
14038589
Created by admin on Wed Apr 02 09:40:36 GMT 2025 , Edited by admin on Wed Apr 02 09:40:36 GMT 2025
PRIMARY
CAS
141895-14-9
Created by admin on Wed Apr 02 09:40:36 GMT 2025 , Edited by admin on Wed Apr 02 09:40:36 GMT 2025
PRIMARY
Related Record Type Details
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