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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H50O6
Molecular Weight 506.7144
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PROTOESCIGENIN

SMILES

[H][C@@]12CC(C)(C)[C@@H](O)[C@H](O)[C@]1(CO)[C@H](O)C[C@]3(C)C2=CC[C@]4([H])[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@]5([H])CC[C@@]34C

InChI

InChIKey=VKJLHZZPVLQJKG-JAGYOTNFSA-N
InChI=1S/C30H50O6/c1-25(2)13-18-17-7-8-20-26(3)11-10-21(33)27(4,15-31)19(26)9-12-28(20,5)29(17,6)14-22(34)30(18,16-32)24(36)23(25)35/h7,18-24,31-36H,8-16H2,1-6H3/t18-,19+,20+,21-,22+,23-,24-,26-,27+,28+,29+,30-/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H50O6
Molecular Weight 506.7144
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 Dec 16 11:08:59 GMT 2023
Edited
by admin
on Sat Dec 16 11:08:59 GMT 2023
Record UNII
5G1E3059EV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PROTOESCIGENIN
Common Name English
PROTOAESCIGENIN
Common Name English
OLEAN-12-ENE-3.BETA.,16.ALPHA.,21.BETA.,22.ALPHA.,24,28-HEXOL
Common Name English
PROTOESCIGENINE
Common Name English
OLEAN-12-ENE-3,16,21,22,23,28-HEXOL, (3.BETA.,4.BETA.,16.ALPHA.,21.BETA.,22.ALPHA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
5G1E3059EV
Created by admin on Sat Dec 16 11:08:59 GMT 2023 , Edited by admin on Sat Dec 16 11:08:59 GMT 2023
PRIMARY
PUBCHEM
15560300
Created by admin on Sat Dec 16 11:08:59 GMT 2023 , Edited by admin on Sat Dec 16 11:08:59 GMT 2023
PRIMARY
CAS
20853-07-0
Created by admin on Sat Dec 16 11:08:59 GMT 2023 , Edited by admin on Sat Dec 16 11:08:59 GMT 2023
PRIMARY