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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H52O4
Molecular Weight 476.7315
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 20,24-EPOXYDAMMARANE-3BETA,12BETA,25-TRIOL, (20S,24S)-

SMILES

[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]3([H])[C@@]4(C)CC[C@H](O)C(C)(C)[C@]4([H])CC[C@@]23C)[C@]5(C)CC[C@H](O5)C(C)(C)O

InChI

InChIKey=DOAJFZJEGHSYOI-BVGXOPESSA-N
InChI=1S/C30H52O4/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/h18-24,31-33H,9-17H2,1-8H3/t18-,19+,20-,21+,22-,23-,24-,27-,28+,29+,30-/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H52O4
Molecular Weight 476.7315
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:07:48 GMT 2023
Edited
by admin
on Sat Dec 16 17:07:48 GMT 2023
Record UNII
C37X3X4NMW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
20,24-EPOXYDAMMARANE-3BETA,12BETA,25-TRIOL, (20S,24S)-
Common Name English
(3.BETA.,12.BETA.,20S,24S)-20,24-EPOXYDAMMARANE-3,12,25-TRIOL
Systematic Name English
(20S,24S)-EPOXYDAMMARANE-3,12,25-TRIOL
Systematic Name English
(20S,24S)-20,24-EPOXYDAMMARANE-3.BETA.,12.BETA.,25-TRIOL
Systematic Name English
20,24-EPOXYDAMMARANE-3.BETA.,12.BETA.,25-TRIOL, (20S,24S)-
Common Name English
(20S)-PROTOPANAXADIOL METABOLITE M1-2
Common Name English
DAMMARANE-3,12,25-TRIOL, 20,24-EPOXY-, (3.BETA.,12.BETA.,24S)-
Systematic Name English
Code System Code Type Description
FDA UNII
C37X3X4NMW
Created by admin on Sat Dec 16 17:07:48 GMT 2023 , Edited by admin on Sat Dec 16 17:07:48 GMT 2023
PRIMARY
PUBCHEM
12314836
Created by admin on Sat Dec 16 17:07:48 GMT 2023 , Edited by admin on Sat Dec 16 17:07:48 GMT 2023
PRIMARY
CAS
141979-08-0
Created by admin on Sat Dec 16 17:07:48 GMT 2023 , Edited by admin on Sat Dec 16 17:07:48 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
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