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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H50O6
Molecular Weight 530.737
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 23-O-ACETYLSHENGMANOL

SMILES

C[C@]([H])(C[C@]([H])([C@@]1([H])C(C)(C)O1)OC(=O)C)[C@@]2([H])C(=O)[C@@]([H])([C@@]3(C)[C@]4([H])CC[C@@]5([H])C(C)(C)[C@]([H])(CC[C@]65C[C@@]46CC[C@]23C)O)O

InChI

InChIKey=XEVRMEYBJMMBCW-ISHIJLPDSA-N
InChI=1S/C32H50O6/c1-17(15-19(37-18(2)33)26-28(5,6)38-26)23-24(35)25(36)30(8)21-10-9-20-27(3,4)22(34)11-12-31(20)16-32(21,31)14-13-29(23,30)7/h17,19-23,25-26,34,36H,9-16H2,1-8H3/t17-,19-,20+,21+,22+,23+,25+,26+,29-,30-,31-,32+/m1/s1

HIDE SMILES / InChI

Molecular Formula C32H50O6
Molecular Weight 530.737
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 12 / 12
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 00:16:19 UTC 2021
Edited
by admin
on Sat Jun 26 00:16:19 UTC 2021
Record UNII
763C9J7OQ5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
23-O-ACETYLSHENGMANOL
Common Name English
ACETYLSHENGMANOL
Common Name English
9,19-CYCLOLANOSTAN-16-ONE, 23-(ACETYLOXY)-24,25-EPOXY-3,15-DIHYDROXY-, (3.BETA.,15.ALPHA.,23R,24S)-
Systematic Name English
Code System Code Type Description
FDA UNII
763C9J7OQ5
Created by admin on Sat Jun 26 00:16:19 UTC 2021 , Edited by admin on Sat Jun 26 00:16:19 UTC 2021
PRIMARY
PUBCHEM
91827092
Created by admin on Sat Jun 26 00:16:19 UTC 2021 , Edited by admin on Sat Jun 26 00:16:19 UTC 2021
PRIMARY
CAS
62498-92-4
Created by admin on Sat Jun 26 00:16:19 UTC 2021 , Edited by admin on Sat Jun 26 00:16:19 UTC 2021
PRIMARY
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