U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H50O4
Molecular Weight 474.7156
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BALSAMINOL A

SMILES

[H][C@@]1(CC[C@@]2(C)[C@]3([H])[C@@H](O)C=C4[C@@]([H])(CC[C@H](O)[C@]4(C)CO)[C@]3(C)CC[C@]12C)[C@H](C)C[C@@H](O)C=C(C)C

InChI

InChIKey=AVFNYXHRDYAHNF-HEVJPHJFSA-N
InChI=1S/C30H50O4/c1-18(2)14-20(32)15-19(3)21-10-11-30(7)26-24(33)16-23-22(8-9-25(34)28(23,5)17-31)27(26,4)12-13-29(21,30)6/h14,16,19-22,24-26,31-34H,8-13,15,17H2,1-7H3/t19-,20+,21-,22-,24+,25+,26-,27+,28-,29-,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H50O4
Molecular Weight 474.7156
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
XN2W8NF8BB
Record Status Validated (UNII)
Record Version