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26315-07-1 | Stigmasta-5,22,25-trien-3-ol, (3β,24S,22E)-
CAS No: 26315-07-1 Catalog No: AG002SOT MDL No:MFCD20260505
Product Description
Catalog Number:
AG002SOT
Chemical Name:
Stigmasta-5,22,25-trien-3-ol, (3β,24S,22E)-
CAS Number:
26315-07-1
Molecular Formula:
C29H46O
Molecular Weight:
410.6749
MDL Number:
MFCD20260505
IUPAC Name:
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,3E,5S)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
InChI:
InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,20-21,23-27,30H,2,7,11-18H2,1,3-6H3/b9-8+/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChI Key:
ZTJFINKUHDHOSM-KEJCWXRGSA-N
SMILES:
CC[C@H](C(=C)C)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C
Properties
Complexity:
716
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
9
Defined Bond Stereocenter Count:
1
Exact Mass:
410.355g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
410.686g/mol
Monoisotopic Mass:
410.355g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.7
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