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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H40O4
Molecular Weight 428.6041
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NEORUSCOGENIN

SMILES

[H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]6(CCC(=C)CO6)O2

InChI

InChIKey=ALTRINCJVPIQNK-NHIXJPGBSA-N
InChI=1S/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h5,16,18-24,28-29H,1,6-14H2,2-4H3/t16-,18+,19+,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H40O4
Molecular Weight 428.6041
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:52:05 GMT 2023
Edited
by admin
on Sat Dec 16 12:52:05 GMT 2023
Record UNII
D4E4KC2TUK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NEORUSCOGENIN
INCI  
Official Name English
25(27)-DEHYDRORUSCOGENIN
Systematic Name English
NEORUSCOGENIN [INCI]
Common Name English
SPIROSTA-5,25(27)-DIENE-1BETA,3BETA-DIOL
Systematic Name English
SPIROSTA-5,25(27)-DIENE-1,3-DIOL, (1.BETA.,3.BETA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
D4E4KC2TUK
Created by admin on Sat Dec 16 12:52:05 GMT 2023 , Edited by admin on Sat Dec 16 12:52:05 GMT 2023
PRIMARY
PUBCHEM
9910474
Created by admin on Sat Dec 16 12:52:05 GMT 2023 , Edited by admin on Sat Dec 16 12:52:05 GMT 2023
PRIMARY
EPA CompTox
DTXSID60938850
Created by admin on Sat Dec 16 12:52:05 GMT 2023 , Edited by admin on Sat Dec 16 12:52:05 GMT 2023
PRIMARY
CAS
17676-33-4
Created by admin on Sat Dec 16 12:52:05 GMT 2023 , Edited by admin on Sat Dec 16 12:52:05 GMT 2023
PRIMARY
ECHA (EC/EINECS)
241-660-1
Created by admin on Sat Dec 16 12:52:05 GMT 2023 , Edited by admin on Sat Dec 16 12:52:05 GMT 2023
PRIMARY